A0A087YAH6_POEFO Loading...

Vesicle (multivesicular body) trafficking 1

AlphaFold DB , UniProt , Accession A0A087YAH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.4Low69.1Low147 Ų14765.5 Ų65.572%0.72437%0.374SS*.  0114.90-160.2137.4-173.500105.9L3 F52 K55M1-L3 PolarHBondContact O-N 3.34Å; M1-F52 HydrophobicContact CE-CD2 4.45Å; M1-F52 HydrophobicContact CG-CD2 4.35Å; M1-F52 HydrophobicContact CG-CE2 4.31Å; M1-K55 HydrophobicContact CE-CD 3.3Å; M1-K55 HydrophobicContact SD-CD 3.7Å; M1-K55 PolarHBondContact SD-NZ 2.95Å
2A56.1Low70.1Confident98 Ų9861.3 Ų61.381%0.8135%0.349SS*.PPolyproline II helixtrans-63.7120.2-177.900000108.3
3L61.3Low71.1Confident56 Ų5657.6 Ų57.629%0.29333%0.326SS..PPolyproline II helixtrans-75.8126.4172.4-99.3130.8000107.8M1 L7 I10 Q11 L14 F52M1-L3 PolarHBondContact O-N 3.34Å; L3-L7 HydrophobicContact CD2-CB 4.11Å; L3-I10 HydrophobicContact CD2-CG1 4.36Å; L3-Q11 HydrophobicContact CD1-CB 4.12Å; L3-Q11 HydrophobicContact CD1-CG 3.83Å; L3-Q11 HydrophobicContact CD2-CB 4.15Å; L3-L14 HydrophobicContact CD2-CD1 4.28Å; L3-F52 HydrophobicContact CD2-CZ 4.3Å; L3-F52 HydrophobicContact CG-CZ 4.44Å
4P68.4Low71.9Confident16 Ų1654.6 Ų54.610%0.10431%0.309CS..PPolyproline II helixtrans-55.6142.9169.9-24.534.3000110.6Q6 L7P4-Q6 PolarHBondContact O-N 3.41Å; P4-Q6 VanDerWaalsContact O-N 3.15Å; P4-L7 HydrophobicContact CB-CD1 4.41Å; P4-L7 HydrophobicContact CB-CG 4.41Å; P4-L7 HydrophobicContact CG-CD1 4.04Å; P4-L7 PolarHBondContact O-N 3.25Å
5A70.4Confident72.7Confident60 Ų6056.5 Ų56.550%0.49631%0.309SS..G310 helixtrans-58.7-30.5-178.700000112.4L7 R8A5-L7 PolarHBondContact O-N 3.31Å; A5-R8 VanDerWaalsContact O-CG 3.25Å; A5-R8 WeakPolarHBondContact O-CG 3.25Å; A5-R8 PolarHBondContact O-N 3.15Å
6Q68.4Low73Confident95 Ų9553.5 Ų53.544%0.44429%0.293SS..G310 helixtrans-65.9-21.2176.4-60.581.8-7.900112.8P4 D43P4-Q6 PolarHBondContact O-N 3.41Å; P4-Q6 VanDerWaalsContact O-N 3.15Å; Q6-D43 HydrophobicContact CB-CB 4.25Å
7L71.8Confident73.4Confident0 Ų050.4 Ų50.40%028%0.276CS..G310 helixtrans-105.816.2-178-65.9-179.4000112.7L3 P4 A5 A9 I10 Q11 C49 F52L3-L7 HydrophobicContact CD2-CB 4.11Å; P4-L7 HydrophobicContact CB-CD1 4.41Å; P4-L7 HydrophobicContact CB-CG 4.41Å; P4-L7 HydrophobicContact CG-CD1 4.04Å; P4-L7 PolarHBondContact O-N 3.25Å; A5-L7 PolarHBondContact O-N 3.31Å; L7-A9 PolarHBondContact O-N 2.95Å; L7-I10 HydrophobicContact CB-CD1 3.91Å; L7-I10 HydrophobicContact CB-CG1 3.75Å; L7-I10 HydrophobicContact CD1-CD1 4.11Å; L7-I10 HydrophobicContact CD2-CD1 3.9Å; L7-I10 HydrophobicContact CD2-CG1 4.24Å; L7-I10 HydrophobicContact CG-CD1 4.18Å; L7-I10 HydrophobicContact CG-CG1 4.47Å; L7-I10 WeakPolarHBondContact O-CG1 3.43Å; L7-I10 PolarHBondContact O-N 3.39Å; L7-I10 VanDerWaalsContact O-N 3.07Å; L7-Q11 PolarHBondContact O-N 2.92Å; L7-C49 HydrophobicContact CD1-CB 4.42Å; L7-F52 HydrophobicContact CD1-CD1 3.61Å; L7-F52 HydrophobicContact CD1-CE1 4.12Å; L7-F52 HydrophobicContact CD1-CG 4.34Å
8R75.3Confident74Confident140 Ų14054.9 Ų54.953%0.52830%0.295SS..Hα-helixtrans-55.5-35.7175.5-79.3176.5-177.3-172.33.4112.7A5 I10 Q11 E173A5-R8 VanDerWaalsContact O-CG 3.25Å; A5-R8 WeakPolarHBondContact O-CG 3.25Å; A5-R8 PolarHBondContact O-N 3.15Å; R8-I10 VanDerWaalsContact C-N 3.26Å; R8-I10 PolarHBondContact O-N 3.07Å; R8-Q11 VanDerWaalsContact O-CB 3.23Å; R8-Q11 WeakPolarHBondContact O-CB 3.19Å; R8-Q11 PolarHBondContact O-N 2.66Å; R8-Q11 VanDerWaalsContact O-N 3.16Å; R8-E173 IonicContact NH1-OE1 3.23Å
9A75.4Confident74.3Confident57 Ų5756.8 Ų56.847%0.47130%0.302SS..Hα-helixtrans-61.1-32.1178.200000113.4L7 H13 L42L7-A9 PolarHBondContact O-N 2.95Å; A9-H13 PolarHBondContact O-ND1 2.63Å; A9-L42 HydrophobicContact CB-CD1 4.12Å
10I80.5Confident74.3Confident0 Ų054.9 Ų54.90%029%0.291CS..Hα-helixtrans-89.4-10.2-18064.2161.5000113L3 L7 R8 H12 H13 L14 A35 T38 F52L3-I10 HydrophobicContact CD2-CG1 4.36Å; L7-I10 HydrophobicContact CB-CD1 3.91Å; L7-I10 HydrophobicContact CB-CG1 3.75Å; L7-I10 HydrophobicContact CD1-CD1 4.11Å; L7-I10 HydrophobicContact CD2-CD1 3.9Å; L7-I10 HydrophobicContact CD2-CG1 4.24Å; L7-I10 HydrophobicContact CG-CD1 4.18Å; L7-I10 HydrophobicContact CG-CG1 4.47Å; L7-I10 WeakPolarHBondContact O-CG1 3.43Å; L7-I10 PolarHBondContact O-N 3.39Å; L7-I10 VanDerWaalsContact O-N 3.07Å; R8-I10 VanDerWaalsContact C-N 3.26Å; R8-I10 PolarHBondContact O-N 3.07Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.2Å; I10-H13 PolarHBondContact O-N 3.48Å; I10-L14 HydrophobicContact CD1-CD1 4.08Å; I10-L14 HydrophobicContact CG1-CD1 4.35Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 3.34Å; I10-A35 HydrophobicContact CB-CB 4.1Å; I10-A35 HydrophobicContact CG2-CB 4.43Å; I10-T38 HydrophobicContact CG2-CG2 3.81Å; I10-F52 HydrophobicContact CD1-CE1 4Å
11Q82.1Confident74.4Confident51 Ų5156.7 Ų56.724%0.23830%0.298CS..Hα-helixtrans-57.6-43.9-178.4177.1168.9-24.700112.5L3 L7 R8 L14 R15L3-Q11 HydrophobicContact CD1-CB 4.12Å; L3-Q11 HydrophobicContact CD1-CG 3.83Å; L3-Q11 HydrophobicContact CD2-CB 4.15Å; L7-Q11 PolarHBondContact O-N 2.92Å; R8-Q11 VanDerWaalsContact O-CB 3.23Å; R8-Q11 WeakPolarHBondContact O-CB 3.19Å; R8-Q11 PolarHBondContact O-N 2.66Å; R8-Q11 VanDerWaalsContact O-N 3.16Å; Q11-L14 PolarHBondContact O-N 3.21Å; Q11-R15 PolarHBondContact O-N 2.91Å
12H81.6Confident75.7Confident16 Ų1659.6 Ų59.67%0.07431%0.306CS..Hα-helixtrans-66.9-40.1-179.3-63.6-79.7000111.9I10 L14 R15 T16 Y112 L116 A172I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.2Å; H12-L14 PolarHBondContact O-N 3.42Å; H12-R15 PolarHBondContact O-N 2.91Å; H12-T16 PolarHBondContact O-N 3.14Å; H12-T16 PolarHBondContact O-OG1 3.2Å; H12-Y112 HydrophobicContact CB-CE1 4.27Å; H12-Y112 WeakPolarHBondContact CB-OH 3.33Å; H12-Y112 AromaticContact ND1-CE1 3.95Å; H12-Y112 AromaticContact ND1-CZ 3.96Å; H12-Y112 PolarHBondContact ND1-OH 2.98Å; H12-Y112 VanDerWaalsContact ND1-OH 3.15Å; H12-L116 HydrophobicContact CB-CD1 4.19Å; H12-L116 HydrophobicContact CB-CD2 4.23Å; H12-A172 WeakPolarHBondContact NE2-CB 3.21Å
13H82.4Confident76.4Confident13 Ų1363.4 Ų63.46%0.0630%0.3CS..Hα-helixtrans-63.4-41.1175.7-60.287.7000111.8A9 I10 A17 Y34 A35 L116A9-H13 PolarHBondContact O-ND1 2.63Å; I10-H13 PolarHBondContact O-N 3.48Å; H13-A17 WeakPolarHBondContact O-CB 3.43Å; H13-A17 PolarHBondContact O-N 3.31Å; H13-Y34 HydrophobicContact CB-CD1 4.48Å; H13-Y34 AromaticContact CD2-CD1 3.5Å; H13-Y34 AromaticContact CD2-CE1 3.57Å; H13-Y34 AromaticContact CE1-CE1 3.59Å; H13-Y34 AromaticContact CG-CD1 3.86Å; H13-Y34 AromaticContact CG-CE1 3.96Å; H13-Y34 AromaticContact ND1-CE1 3.97Å; H13-Y34 AromaticContact NE2-CD1 3.79Å; H13-Y34 AromaticContact NE2-CE1 3.32Å; H13-Y34 VanDerWaalsContact NE2-CE1 3.32Å; H13-Y34 WeakPolarHBondContact NE2-CE1 3.37Å; H13-A35 HydrophobicContact CB-CB 4.47Å; H13-L116 WeakPolarHBondContact NE2-CD2 3.49Å
14L82.6Confident77Confident16 Ų1662.6 Ų62.68%0.08430%0.296CS..Hα-helixtrans-69.6-38.8178-69.8175.3000113.1L3 I10 Q11 H12 A17 Q18 A35 F52 L56L3-L14 HydrophobicContact CD2-CD1 4.28Å; I10-L14 HydrophobicContact CD1-CD1 4.08Å; I10-L14 HydrophobicContact CG1-CD1 4.35Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 3.34Å; Q11-L14 PolarHBondContact O-N 3.21Å; H12-L14 PolarHBondContact O-N 3.42Å; L14-A17 WeakPolarHBondContact O-CB 3.48Å; L14-A17 PolarHBondContact O-N 2.88Å; L14-Q18 WeakPolarHBondContact O-CG 3.31Å; L14-Q18 PolarHBondContact O-N 3.3Å; L14-Q18 VanDerWaalsContact O-N 3.08Å; L14-A35 HydrophobicContact CD2-CB 3.7Å; L14-A35 HydrophobicContact CG-CB 3.98Å; L14-F52 HydrophobicContact CD1-CE1 3.99Å; L14-F52 HydrophobicContact CD1-CZ 3.64Å; L14-L56 HydrophobicContact CD2-CD1 3.71Å; L14-L56 HydrophobicContact CD2-CD2 4.35Å
15R83.4Confident77.3Confident83 Ų8363.1 Ų63.131%0.31330%0.299SS..Hα-helixtrans-62.7-47.4174.9-174.1-179.2-66.7-176.1-1.8110.6Q11 H12 A17 Q18 E19Q11-R15 PolarHBondContact O-N 2.91Å; H12-R15 PolarHBondContact O-N 2.91Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 2.82Å; R15-Q18 WeakPolarHBondContact O-CB 3.48Å; R15-Q18 PolarHBondContact O-N 2.82Å; R15-Q18 VanDerWaalsContact O-N 3.12Å; R15-E19 PolarHBondContact O-N 2.88Å; R15-E19 VanDerWaalsContact O-N 3.11Å
16T77.8Confident77.6Confident8 Ų861.8 Ų61.85%0.04929%0.285CS..Hα-helixtrans-58.8-40.3175.5-59.20000111.7H12 Q18 E19 H20 T113 L116H12-T16 PolarHBondContact O-N 3.14Å; H12-T16 PolarHBondContact O-OG1 3.2Å; T16-Q18 VanDerWaalsContact C-N 3.34Å; T16-Q18 PolarHBondContact O-N 3.42Å; T16-E19 PolarHBondContact O-N 2.99Å; T16-H20 PolarHBondContact O-N 2.87Å; T16-H20 VanDerWaalsContact O-N 3.16Å; T16-H20 PolarHBondContact O-ND1 3.28Å; T16-T113 HydrophobicContact CG2-CG2 3.76Å; T16-L116 WeakPolarHBondContact OG1-CD1 3.11Å
17A80.4Confident77.9Confident0 Ų057.7 Ų57.70%027%0.266CS..Hα-helixtrans-60.9-41.2175.600000112.4H13 L14 R15 H20 E21 T28 C31 R32H13-A17 WeakPolarHBondContact O-CB 3.43Å; H13-A17 PolarHBondContact O-N 3.31Å; L14-A17 WeakPolarHBondContact O-CB 3.48Å; L14-A17 PolarHBondContact O-N 2.88Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 2.82Å; A17-H20 PolarHBondContact O-N 3.18Å; A17-E21 PolarHBondContact O-N 3.27Å; A17-E21 VanDerWaalsContact O-N 3.1Å; A17-T28 HydrophobicContact CB-CG2 4.23Å; A17-T28 WeakPolarHBondContact O-CG2 3.3Å; A17-T28 PolarHBondContact O-OG1 3.48Å; A17-C31 HydrophobicContact CB-CB 3.7Å; A17-R32 HydrophobicContact CB-CG 4.08Å
18Q82.9Confident78.4Confident132 Ų13257.7 Ų57.762%0.61727%0.266SS*.Hα-helixtrans-65.9-37.3177.3-70.7171.9-6.100112.4L14 R15 T16 H20 E21L14-Q18 WeakPolarHBondContact O-CG 3.31Å; L14-Q18 PolarHBondContact O-N 3.3Å; L14-Q18 VanDerWaalsContact O-N 3.08Å; R15-Q18 WeakPolarHBondContact O-CB 3.48Å; R15-Q18 PolarHBondContact O-N 2.82Å; R15-Q18 VanDerWaalsContact O-N 3.12Å; T16-Q18 VanDerWaalsContact C-N 3.34Å; T16-Q18 PolarHBondContact O-N 3.42Å; Q18-H20 VanDerWaalsContact C-N 3.28Å; Q18-H20 PolarHBondContact O-N 3.15Å; Q18-E21 PolarHBondContact O-N 3.34Å
19E80.6Confident78.8Confident91 Ų9152 Ų5243%0.42525%0.245SC..Hα-helixtrans-66.1-31.9176.9-69.2179.9176.300112.6R15 T16R15-E19 PolarHBondContact O-N 2.88Å; R15-E19 VanDerWaalsContact O-N 3.11Å; T16-E19 PolarHBondContact O-N 2.99Å
20H74.4Confident79Confident19 Ų1949.6 Ų49.69%0.08822%0.224CC..Hα-helixtrans-95-3.6-177.2-66.275.2000113.5T16 A17 Q18 K22 R23 D24 V27 T28T16-H20 PolarHBondContact O-N 2.87Å; T16-H20 VanDerWaalsContact O-N 3.16Å; T16-H20 PolarHBondContact O-ND1 3.28Å; A17-H20 PolarHBondContact O-N 3.18Å; Q18-H20 VanDerWaalsContact C-N 3.28Å; Q18-H20 PolarHBondContact O-N 3.15Å; H20-K22 PolarHBondContact O-N 3.07Å; H20-K22 VanDerWaalsContact O-N 3.13Å; H20-R23 PolarHBondContact O-N 3.16Å; H20-D24 CarbonylContact O-C 3.36Å; H20-D24 VanDerWaalsContact O-C 3.28Å; H20-D24 PolarHBondContact O-N 3.38Å; H20-D24 VanDerWaalsContact O-O 3.12Å; H20-V27 HydrophobicContact CB-CG1 4.41Å; H20-T28 PolarHBondContact O-OG1 3.3Å
21E77Confident79.1Confident92 Ų9249.7 Ų49.743%0.4322%0.224SC..THydrogen-bonded Turntrans-58.3-33-176.1-174160.1-138.100113.3A17 Q18 T28 R32A17-E21 PolarHBondContact O-N 3.27Å; A17-E21 VanDerWaalsContact O-N 3.1Å; Q18-E21 PolarHBondContact O-N 3.34Å; E21-T28 VanDerWaalsContact CA-OG1 3.25Å; E21-T28 WeakPolarHBondContact CA-OG1 3.35Å; E21-T28 HydrophobicContact CB-CG2 4.14Å; E21-T28 HydrophobicContact CG-CG2 4.37Å; E21-T28 PolarHBondContact N-OG1 2.92Å; E21-T28 VanDerWaalsContact N-OG1 3.14Å; E21-R32 IonicContact OE1-CZ 3.81Å; E21-R32 IonicContact OE1-NH1 3.38Å; E21-R32 PolarHBondContact OE1-NH1 2.92Å; E21-R32 IonicContact OE1-NH2 3.11Å; E21-R32 PolarHBondContact OE1-NH2 2.96Å; E21-R32 IonicContact OE2-NH2 2.83Å; E21-R32 PolarHBondContact OE2-NH2 3.27Å; E21-R32 VanDerWaalsContact OE2-NH2 3.11Å
22K76.2Confident79.2Confident209 Ų20948 Ų4891%0.90922%0.215SC*.THydrogen-bonded Turntrans-91.7-22.6177-62.5-176.5-178.6-179.40114.5H20H20-K22 PolarHBondContact O-N 3.07Å; H20-K22 VanDerWaalsContact O-N 3.13Å
23R72.3Confident79.3Confident177 Ų17748.7 Ų48.767%0.66822%0.22SC*.THydrogen-bonded Turntrans-93.9-42.5-175-77.4-177.1178.71710.5112H20H20-R23 PolarHBondContact O-N 3.16Å
24D72.1Confident79.4Confident39 Ų3949.8 Ų49.821%0.20922%0.223CC..  trans-148.689.6-171.3-87.1-59000110.2H20 V26 V27 T28 K85H20-D24 CarbonylContact O-C 3.36Å; H20-D24 VanDerWaalsContact O-C 3.28Å; H20-D24 PolarHBondContact O-N 3.38Å; H20-D24 VanDerWaalsContact O-O 3.12Å; D24-V26 PolarHBondContact O-N 3.31Å; D24-V27 HydrophobicContact CB-CB 3.98Å; D24-V27 HydrophobicContact CB-CG2 3.89Å; D24-V27 PolarHBondContact O-N 3.48Å; D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 VanDerWaalsContact O-N 3.15Å; D24-T28 PolarHBondContact O-OG1 3.44Å; D24-K85 IonicContact OD1-NZ 3.77Å; D24-K85 PolarHBondContact OD1-NZ 3.49Å; D24-K85 IonicContact OD2-NZ 3.9Å; D24-K85 PolarHBondContact OD2-NZ 3.5Å
25P76Confident79.6Confident28 Ų2849 Ų4918%0.18222%0.22CC..Hα-helixtrans-62.7-30.8178.320.7-28.4000112.1T28 Y29 E70P25-T28 WeakPolarHBondContact O-CB 3.31Å; P25-T28 PolarHBondContact O-N 3.1Å; P25-Y29 PolarHBondContact O-N 2.87Å; P25-E70 WeakPolarHBondContact CG-OE2 3.35Å
26V76.1Confident79.6Confident31 Ų3146.2 Ų46.219%0.18821%0.21CC..Hα-helixtrans-61.4-50.6175.5-176.50000111D24 T28 Y29 Y30 T67D24-V26 PolarHBondContact O-N 3.31Å; V26-T28 VanDerWaalsContact C-N 3.27Å; V26-T28 PolarHBondContact O-N 3.38Å; V26-Y29 WeakPolarHBondContact O-CB 3.22Å; V26-Y29 PolarHBondContact O-N 3.49Å; V26-Y30 HydrophobicContact CG1-CD2 3.98Å; V26-Y30 HydrophobicContact CG1-CE2 3.79Å; V26-Y30 WeakPolarHBondContact O-CD2 3.44Å; V26-Y30 PolarHBondContact O-N 3.25Å; V26-T67 HydrophobicContact CG2-CG2 4.01Å
27V76Confident79.9Confident9 Ų949 Ų496%0.05522%0.223CC..Hα-helixtrans-62.3-40179.4174.30000110.6H20 D24 Y29 Y30 C31 L117H20-V27 HydrophobicContact CB-CG1 4.41Å; D24-V27 HydrophobicContact CB-CB 3.98Å; D24-V27 HydrophobicContact CB-CG2 3.89Å; D24-V27 PolarHBondContact O-N 3.48Å; V27-Y29 PolarHBondContact O-N 2.96Å; V27-Y30 PolarHBondContact O-N 3.29Å; V27-C31 WeakPolarHBondContact O-CB 3.19Å; V27-C31 PolarHBondContact O-N 2.88Å; V27-C31 PolarHBondContact O-SG 3.18Å; V27-L117 HydrophobicContact CG1-CD2 3.48Å; V27-L117 VanDerWaalsContact CG1-CD2 3.48Å
28T81Confident80Confident0 Ų050.2 Ų50.20%023%0.23CC..Hα-helixtrans-59.9-45177.1-58.50000112A17 H20 E21 D24 P25 V26 Y30 C31 R32A17-T28 HydrophobicContact CB-CG2 4.23Å; A17-T28 WeakPolarHBondContact O-CG2 3.3Å; A17-T28 PolarHBondContact O-OG1 3.48Å; H20-T28 PolarHBondContact O-OG1 3.3Å; E21-T28 VanDerWaalsContact CA-OG1 3.25Å; E21-T28 WeakPolarHBondContact CA-OG1 3.35Å; E21-T28 HydrophobicContact CB-CG2 4.14Å; E21-T28 HydrophobicContact CG-CG2 4.37Å; E21-T28 PolarHBondContact N-OG1 2.92Å; E21-T28 VanDerWaalsContact N-OG1 3.14Å; D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 VanDerWaalsContact O-N 3.15Å; D24-T28 PolarHBondContact O-OG1 3.44Å; P25-T28 WeakPolarHBondContact O-CB 3.31Å; P25-T28 PolarHBondContact O-N 3.1Å; V26-T28 VanDerWaalsContact C-N 3.27Å; V26-T28 PolarHBondContact O-N 3.38Å; T28-Y30 PolarHBondContact O-N 3.19Å; T28-C31 PolarHBondContact O-N 2.86Å; T28-R32 WeakPolarHBondContact O-CG 3.03Å; T28-R32 PolarHBondContact O-N 3.46Å
29Y83.1Confident80.1Confident20 Ų2044 Ų448%0.07820%0.201CC..Hα-helixtrans-56.8-50.3176.1176.5-105.6000111.6P25 V26 V27 R32 L33 L60 V63 R64 F73P25-Y29 PolarHBondContact O-N 2.87Å; V26-Y29 WeakPolarHBondContact O-CB 3.22Å; V26-Y29 PolarHBondContact O-N 3.49Å; V27-Y29 PolarHBondContact O-N 2.96Å; Y29-R32 PolarHBondContact O-N 3.45Å; Y29-L33 HydrophobicContact CE1-CD2 4.36Å; Y29-L33 WeakPolarHBondContact O-CB 3.43Å; Y29-L33 PolarHBondContact O-N 3.19Å; Y29-L60 HydrophobicContact CD2-CD2 4.38Å; Y29-L60 HydrophobicContact CD2-CG 4.3Å; Y29-L60 HydrophobicContact CE2-CD2 3.54Å; Y29-L60 HydrophobicContact CE2-CG 3.91Å; Y29-V63 HydrophobicContact CD2-CG1 4.27Å; Y29-R64 HydrophobicContact CD2-CB 4.22Å; Y29-R64 HydrophobicContact CE2-CB 3.7Å; Y29-R64 HydrophobicContact CE2-CG 4.04Å; Y29-F73 HydrophobicContact CD1-CZ 4.02Å; Y29-F73 AromaticContact CE1-CE1 3.91Å; Y29-F73 HydrophobicContact CE1-CE1 3.91Å; Y29-F73 AromaticContact CE1-CZ 3.64Å; Y29-F73 HydrophobicContact CE1-CZ 3.64Å
30Y81.1Confident80.2Confident8 Ų844.3 Ų44.33%0.03120%0.204CC..Hα-helixtrans-71.6-35.1-176.7-73.9-70.4000113.8V26 V27 T28 R32 L33 Y34 Q78 I82 V120 V123 F124V26-Y30 HydrophobicContact CG1-CD2 3.98Å; V26-Y30 HydrophobicContact CG1-CE2 3.79Å; V26-Y30 WeakPolarHBondContact O-CD2 3.44Å; V26-Y30 PolarHBondContact O-N 3.25Å; V27-Y30 PolarHBondContact O-N 3.29Å; T28-Y30 PolarHBondContact O-N 3.19Å; Y30-R32 VanDerWaalsContact C-N 3.32Å; Y30-R32 PolarHBondContact O-N 3.08Å; Y30-L33 HydrophobicContact CD1-CD2 4.06Å; Y30-L33 HydrophobicContact CE1-CD2 4.26Å; Y30-L33 PolarHBondContact O-N 3.19Å; Y30-Y34 WeakPolarHBondContact O-CB 3.48Å; Y30-Y34 PolarHBondContact O-N 3.37Å; Y30-Q78 HydrophobicContact CE2-CB 3.86Å; Y30-Q78 HydrophobicContact CE2-CG 4.25Å; Y30-Q78 VanDerWaalsContact OH-CB 3.22Å; Y30-Q78 WeakPolarHBondContact OH-CB 3.23Å; Y30-Q78 PolarHBondContact OH-OE1 3.45Å; Y30-I82 HydrophobicContact CD2-CD1 3.34Å; Y30-I82 HydrophobicContact CE2-CD1 3.81Å; Y30-I82 HydrophobicContact CG-CD1 3.73Å; Y30-V120 VanDerWaalsContact CB-CG1 3.5Å; Y30-V123 HydrophobicContact CD1-CG2 4.24Å; Y30-F124 AromaticContact CD1-CE1 3.94Å; Y30-F124 HydrophobicContact CD1-CE1 3.94Å; Y30-F124 AromaticContact CD1-CE2 3.88Å; Y30-F124 HydrophobicContact CD1-CE2 3.88Å; Y30-F124 AromaticContact CD1-CZ 3.32Å; Y30-F124 HydrophobicContact CD1-CZ 3.32Å; Y30-F124 HydrophobicContact CD2-CZ 4.11Å; Y30-F124 HydrophobicContact CE1-CD1 4.39Å; Y30-F124 AromaticContact CE1-CE1 3.25Å; Y30-F124 HydrophobicContact CE1-CE1 3.25Å; Y30-F124 HydrophobicContact CE1-CE2 4.03Å; Y30-F124 AromaticContact CE1-CZ 3.03Å; Y30-F124 HydrophobicContact CE1-CZ 3.03Å; Y30-F124 AromaticContact CE2-CZ 3.85Å; Y30-F124 HydrophobicContact CE2-CZ 3.85Å; Y30-F124 HydrophobicContact CG-CE2 4.26Å; Y30-F124 AromaticContact CG-CZ 3.85Å; Y30-F124 HydrophobicContact CG-CZ 3.85Å; Y30-F124 AromaticContact CZ-CE1 3.57Å; Y30-F124 AromaticContact CZ-CZ 3.3Å
31C82.9Confident80.7Confident1 Ų151.7 Ų51.71%0.00724%0.236CC..Hα-helixtrans-62-41.2172.1-67.40000111.3A17 V27 T28 A35 V120A17-C31 HydrophobicContact CB-CB 3.7Å; V27-C31 WeakPolarHBondContact O-CB 3.19Å; V27-C31 PolarHBondContact O-N 2.88Å; V27-C31 PolarHBondContact O-SG 3.18Å; T28-C31 PolarHBondContact O-N 2.86Å; C31-A35 WeakPolarHBondContact O-CB 3.45Å; C31-A35 PolarHBondContact O-N 2.89Å; C31-V120 HydrophobicContact CB-CG2 4.46Å
32R84.1Confident80.9Confident15 Ų1551.7 Ų51.76%0.05724%0.238CC..Hα-helixtrans-67.7-39.4175.2-71.9178.2-176.7167.27.5111.7A17 E21 T28 Y29 Y30 A35 M36 L56 L60A17-R32 HydrophobicContact CB-CG 4.08Å; E21-R32 IonicContact OE1-CZ 3.81Å; E21-R32 IonicContact OE1-NH1 3.38Å; E21-R32 PolarHBondContact OE1-NH1 2.92Å; E21-R32 IonicContact OE1-NH2 3.11Å; E21-R32 PolarHBondContact OE1-NH2 2.96Å; E21-R32 IonicContact OE2-NH2 2.83Å; E21-R32 PolarHBondContact OE2-NH2 3.27Å; E21-R32 VanDerWaalsContact OE2-NH2 3.11Å; T28-R32 WeakPolarHBondContact O-CG 3.03Å; T28-R32 PolarHBondContact O-N 3.46Å; Y29-R32 PolarHBondContact O-N 3.45Å; Y30-R32 VanDerWaalsContact C-N 3.32Å; Y30-R32 PolarHBondContact O-N 3.08Å; R32-A35 PolarHBondContact O-N 3.26Å; R32-M36 WeakPolarHBondContact O-CB 3.26Å; R32-M36 PolarHBondContact O-N 2.87Å; R32-L56 HydrophobicContact CG-CD1 4.44Å; R32-L60 HydrophobicContact CB-CD1 4.46Å
33L83.9Confident80.9Confident32 Ų3242.8 Ų42.817%0.16820%0.2CC..Hα-helixtrans-62.2-46.3175.7-175.766.2000111.8Y29 Y30 M36 Q37 L60Y29-L33 HydrophobicContact CE1-CD2 4.36Å; Y29-L33 WeakPolarHBondContact O-CB 3.43Å; Y29-L33 PolarHBondContact O-N 3.19Å; Y30-L33 HydrophobicContact CD1-CD2 4.06Å; Y30-L33 HydrophobicContact CE1-CD2 4.26Å; Y30-L33 PolarHBondContact O-N 3.19Å; L33-M36 PolarHBondContact O-N 3.24Å; L33-Q37 WeakPolarHBondContact O-CG 3.48Å; L33-Q37 PolarHBondContact O-N 2.93Å; L33-L60 HydrophobicContact CB-CD1 4.01Å; L33-L60 HydrophobicContact CD1-CD1 3.92Å
34Y84.2Confident81Confident35 Ų3537.6 Ų37.614%0.13719%0.191CC..Hα-helixtrans-61.9-46.9174.9178.4-92.9000111.5H13 Y30 M36 Q37 T38 D119 V120 V123H13-Y34 HydrophobicContact CB-CD1 4.48Å; H13-Y34 AromaticContact CD2-CD1 3.5Å; H13-Y34 AromaticContact CD2-CE1 3.57Å; H13-Y34 AromaticContact CE1-CE1 3.59Å; H13-Y34 AromaticContact CG-CD1 3.86Å; H13-Y34 AromaticContact CG-CE1 3.96Å; H13-Y34 AromaticContact ND1-CE1 3.97Å; H13-Y34 AromaticContact NE2-CD1 3.79Å; H13-Y34 AromaticContact NE2-CE1 3.32Å; H13-Y34 VanDerWaalsContact NE2-CE1 3.32Å; H13-Y34 WeakPolarHBondContact NE2-CE1 3.37Å; Y30-Y34 WeakPolarHBondContact O-CB 3.48Å; Y30-Y34 PolarHBondContact O-N 3.37Å; Y34-M36 PolarHBondContact O-N 3.23Å; Y34-Q37 PolarHBondContact O-N 3.47Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 3.47Å; Y34-T38 PolarHBondContact O-OG1 2.93Å; Y34-T38 VanDerWaalsContact O-OG1 3.07Å; Y34-D119 WeakPolarHBondContact CD2-O 3.39Å; Y34-D119 HydrophobicContact CE1-CB 4.44Å; Y34-D119 HydrophobicContact CE2-CB 4.27Å; Y34-D119 VanDerWaalsContact CE2-O 3.29Å; Y34-D119 WeakPolarHBondContact CE2-O 3.46Å; Y34-V120 HydrophobicContact CD1-CG2 4.49Å; Y34-V120 HydrophobicContact CG-CG2 4.18Å; Y34-V123 HydrophobicContact CD2-CG1 3.63Å; Y34-V123 HydrophobicContact CG-CG1 4.19Å
35A85.3Confident81.2Confident0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-58.9-37.5177.400000112.1I10 H13 L14 C31 R32 G39 L56I10-A35 HydrophobicContact CB-CB 4.1Å; I10-A35 HydrophobicContact CG2-CB 4.43Å; H13-A35 HydrophobicContact CB-CB 4.47Å; L14-A35 HydrophobicContact CD2-CB 3.7Å; L14-A35 HydrophobicContact CG-CB 3.98Å; C31-A35 WeakPolarHBondContact O-CB 3.45Å; C31-A35 PolarHBondContact O-N 2.89Å; R32-A35 PolarHBondContact O-N 3.26Å; A35-G39 WeakPolarHBondContact O-CA 3.49Å; A35-G39 PolarHBondContact O-N 3.42Å; A35-L56 HydrophobicContact CB-CD2 4.34Å
36M84.2Confident81.6Confident24 Ų2445.4 Ų45.412%0.11822%0.224CC..Hα-helixtrans-69.7-48.5176.6-175.8-109.1175.600112.2R32 L33 Y34 T38 G39 M40 L56 M57R32-M36 WeakPolarHBondContact O-CB 3.26Å; R32-M36 PolarHBondContact O-N 2.87Å; L33-M36 PolarHBondContact O-N 3.24Å; Y34-M36 PolarHBondContact O-N 3.23Å; M36-T38 PolarHBondContact O-N 3.03Å; M36-G39 PolarHBondContact O-N 3.08Å; M36-M40 HydrophobicContact CE-CE 4.4Å; M36-M40 HydrophobicContact CE-CG 4.03Å; M36-M40 HydrophobicContact CE-SD 3.18Å; M36-M40 WeakPolarHBondContact CE-SD 3.37Å; M36-M40 WeakPolarHBondContact O-CG 3.44Å; M36-M40 PolarHBondContact O-N 3.4Å; M36-M40 HydrophobicContact SD-SD 3.97Å; M36-L56 HydrophobicContact CB-CD2 4.03Å; M36-M57 HydrophobicContact CB-SD 4.28Å; M36-M57 HydrophobicContact CE-CE 3.28Å; M36-M57 HydrophobicContact CE-CG 3.58Å; M36-M57 HydrophobicContact CE-SD 3.4Å; M36-M57 WeakPolarHBondContact CE-SD 3.41Å; M36-M57 HydrophobicContact CG-CE 4.36Å; M36-M57 HydrophobicContact CG-CG 4.06Å; M36-M57 HydrophobicContact CG-SD 3.41Å; M36-M57 WeakPolarHBondContact CG-SD 3.45Å; M36-M57 HydrophobicContact SD-CE 3.45Å; M36-M57 WeakPolarHBondContact SD-CE 3.39Å; M36-M57 HydrophobicContact SD-CG 4.26Å; M36-M57 HydrophobicContact SD-SD 3.32Å
37Q83.6Confident81.8Confident67 Ų6748.8 Ų48.831%0.31325%0.247SC..Hα-helixtrans-59.6-45.7177-72.9-177.617.200112L33 Y34 M40 K41L33-Q37 WeakPolarHBondContact O-CG 3.48Å; L33-Q37 PolarHBondContact O-N 2.93Å; Y34-Q37 PolarHBondContact O-N 3.47Å; Q37-M40 PolarHBondContact O-N 3.46Å; Q37-K41 WeakPolarHBondContact O-CG 3.32Å; Q37-K41 PolarHBondContact O-N 2.83Å
38T83.4Confident82.2Confident26 Ų2655 Ų5516%0.1628%0.275CS..Hα-helixtrans-68.3-40.6178.7-60.10000111.1I10 Y34 M36 M40 K41 L42I10-T38 HydrophobicContact CG2-CG2 3.81Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 3.47Å; Y34-T38 PolarHBondContact O-OG1 2.93Å; Y34-T38 VanDerWaalsContact O-OG1 3.07Å; M36-T38 PolarHBondContact O-N 3.03Å; T38-M40 VanDerWaalsContact C-N 3.34Å; T38-M40 PolarHBondContact O-N 3.37Å; T38-K41 PolarHBondContact O-N 2.97Å; T38-L42 HydrophobicContact CG2-CD1 3.89Å; T38-L42 HydrophobicContact CG2-CG 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.48Å; T38-L42 PolarHBondContact O-N 2.94Å
39G84.2Confident82.1Confident0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-62.5-38.717600000113.1A35 M36 L42 D43A35-G39 WeakPolarHBondContact O-CA 3.49Å; A35-G39 PolarHBondContact O-N 3.42Å; M36-G39 PolarHBondContact O-N 3.08Å; G39-L42 PolarHBondContact O-N 3.32Å; G39-D43 PolarHBondContact O-N 3.48Å; G39-D43 VanDerWaalsContact O-N 3.14Å
40M82.8Confident82Confident99 Ų9961.5 Ų61.549%0.48830%0.299SS..Hα-helixtrans-64.6-37.3173.5-73.1-17682.300113.1M36 Q37 T38 L53M36-M40 HydrophobicContact CE-CE 4.4Å; M36-M40 HydrophobicContact CE-CG 4.03Å; M36-M40 HydrophobicContact CE-SD 3.18Å; M36-M40 WeakPolarHBondContact CE-SD 3.37Å; M36-M40 WeakPolarHBondContact O-CG 3.44Å; M36-M40 PolarHBondContact O-N 3.4Å; M36-M40 HydrophobicContact SD-SD 3.97Å; Q37-M40 PolarHBondContact O-N 3.46Å; T38-M40 VanDerWaalsContact C-N 3.34Å; T38-M40 PolarHBondContact O-N 3.37Å; M40-L53 HydrophobicContact CG-CD1 4.32Å
41K84.9Confident82.2Confident174 Ų17468.5 Ų68.576%0.75733%0.33SS*.Hα-helixtrans-70.6-34.8177.6-72.3175.8-178.21800112.4Q37 T38Q37-K41 WeakPolarHBondContact O-CG 3.32Å; Q37-K41 PolarHBondContact O-N 2.83Å; T38-K41 PolarHBondContact O-N 2.97Å
42L81.9Confident82.3Confident92 Ų9269.7 Ų69.748%0.48234%0.335SS..Hα-helixtrans-75.4-61.1-178-75.1166.7000112.3A9 T38 G39A9-L42 HydrophobicContact CB-CD1 4.12Å; T38-L42 HydrophobicContact CG2-CD1 3.89Å; T38-L42 HydrophobicContact CG2-CG 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.48Å; T38-L42 PolarHBondContact O-N 2.94Å; G39-L42 PolarHBondContact O-N 3.32Å
43D75.1Confident82.3Confident21 Ų2169.7 Ų69.711%0.11234%0.336CS..  trans-152.1104.5-177.2-173.95.2000111.6Q6 G39 K45 T46 C49Q6-D43 HydrophobicContact CB-CB 4.25Å; G39-D43 PolarHBondContact O-N 3.48Å; G39-D43 VanDerWaalsContact O-N 3.14Å; D43-K45 PolarHBondContact OD1-N 3.45Å; D43-T46 PolarHBondContact OD1-N 3.21Å; D43-T46 VanDerWaalsContact OD1-N 3.07Å; D43-T46 PolarHBondContact OD1-OG1 3.18Å; D43-T46 WeakPolarHBondContact OD2-CB 3.34Å; D43-T46 PolarHBondContact OD2-OG1 3.24Å; D43-C49 WeakPolarHBondContact O-CB 3.47Å; D43-C49 PolarHBondContact OD2-SG 3.48Å; D43-C49 VanDerWaalsContact OD2-SG 3.41Å
44S74.1Confident82.4Confident68 Ų6873 Ų7348%0.47635%0.352SS..SBendtrans-105.41172.850.70000113
45K76.8Confident82.6Confident192 Ų19275.8 Ų75.884%0.83537%0.365SS*.SBendtrans-96.8-35.1-171-62.1179.8-177.3177.30111.7D43D43-K45 PolarHBondContact OD1-N 3.45Å
46T84.1Confident82.5Confident39 Ų3975.9 Ų75.924%0.23937%0.365CS..SBendtrans-71.3128.7179.7-57.50000111D43 E48 C49 R50D43-T46 PolarHBondContact OD1-N 3.21Å; D43-T46 VanDerWaalsContact OD1-N 3.07Å; D43-T46 PolarHBondContact OD1-OG1 3.18Å; D43-T46 WeakPolarHBondContact OD2-CB 3.34Å; D43-T46 PolarHBondContact OD2-OG1 3.24Å; T46-E48 VanDerWaalsContact C-N 3.25Å; T46-E48 HydrophobicContact CG2-CB 4.17Å; T46-E48 PolarHBondContact O-N 3.49Å; T46-C49 PolarHBondContact O-N 3Å; T46-R50 PolarHBondContact O-N 3.09Å
47P81.7Confident82.5Confident103 Ų10377.5 Ų77.567%0.66937%0.373SS*.Hα-helixtrans-61.6-30.9-177.822.2-33.2000113.5K51P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 PolarHBondContact O-N 3Å
48E83.3Confident82.7Confident138 Ų13879 Ų7965%0.64538%0.383SS*.Hα-helixtrans-69.3-45.6175.8-62.2170.3175.300111.7T46 R50 K51 F52T46-E48 VanDerWaalsContact C-N 3.25Å; T46-E48 HydrophobicContact CG2-CB 4.17Å; T46-E48 PolarHBondContact O-N 3.49Å; E48-R50 VanDerWaalsContact C-N 3.34Å; E48-K51 PolarHBondContact O-N 3.44Å; E48-F52 PolarHBondContact O-N 3.34Å
49C78.8Confident82.7Confident0 Ų081.4 Ų81.40%039%0.393CS..Hα-helixtrans-60.5-44.1172.9-650000110.7L7 D43 T46 K51 F52 L53L7-C49 HydrophobicContact CD1-CB 4.42Å; D43-C49 WeakPolarHBondContact O-CB 3.47Å; D43-C49 PolarHBondContact OD2-SG 3.48Å; D43-C49 VanDerWaalsContact OD2-SG 3.41Å; T46-C49 PolarHBondContact O-N 3Å; C49-K51 PolarHBondContact O-N 2.94Å; C49-F52 WeakPolarHBondContact O-CB 3.39Å; C49-F52 PolarHBondContact O-N 3.41Å; C49-L53 WeakPolarHBondContact O-CB 3.39Å; C49-L53 VanDerWaalsContact O-CG 3.3Å; C49-L53 WeakPolarHBondContact O-CG 3.47Å; C49-L53 PolarHBondContact O-N 3.26Å
50R81.8Confident82.7Confident158 Ų15881.8 Ų81.860%0.59640%0.395SS*.Hα-helixtrans-62.2-43.9177.1-170177.9176171.20.3112.2T46 E48 F52 L53 M54T46-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact C-N 3.34Å; R50-F52 VanDerWaalsContact C-N 3.28Å; R50-F52 PolarHBondContact O-N 3.01Å; R50-L53 PolarHBondContact O-N 2.86Å; R50-M54 HydrophobicContact CG-CE 4.18Å; R50-M54 HydrophobicContact CG-SD 4.47Å; R50-M54 WeakPolarHBondContact O-CB 3.42Å; R50-M54 VanDerWaalsContact O-CG 3.31Å; R50-M54 WeakPolarHBondContact O-CG 3.48Å; R50-M54 PolarHBondContact O-N 3.01Å
51K86.1Confident82.7Confident155 Ų15582.2 Ų82.267%0.67440%0.396SS*.Hα-helixtrans-61.5-38.7175.6-170.6176-176.4176.40111.7P47 E48 C49 K55P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 PolarHBondContact O-N 3Å; E48-K51 PolarHBondContact O-N 3.44Å; C49-K51 PolarHBondContact O-N 2.94Å; K51-K55 PolarHBondContact O-N 3.3Å
52F84.9Confident82.7Confident26 Ų2677.9 Ų77.911%0.11438%0.384CS..Hα-helixtrans-65.9-47.4174.3-176.7-94.6000112.1M1 L3 L7 I10 L14 E48 C49 R50 M54 K55 L56M1-F52 HydrophobicContact CE-CD2 4.45Å; M1-F52 HydrophobicContact CG-CD2 4.35Å; M1-F52 HydrophobicContact CG-CE2 4.31Å; L3-F52 HydrophobicContact CD2-CZ 4.3Å; L3-F52 HydrophobicContact CG-CZ 4.44Å; L7-F52 HydrophobicContact CD1-CD1 3.61Å; L7-F52 HydrophobicContact CD1-CE1 4.12Å; L7-F52 HydrophobicContact CD1-CG 4.34Å; I10-F52 HydrophobicContact CD1-CE1 4Å; L14-F52 HydrophobicContact CD1-CE1 3.99Å; L14-F52 HydrophobicContact CD1-CZ 3.64Å; E48-F52 PolarHBondContact O-N 3.34Å; C49-F52 WeakPolarHBondContact O-CB 3.39Å; C49-F52 PolarHBondContact O-N 3.41Å; R50-F52 VanDerWaalsContact C-N 3.28Å; R50-F52 PolarHBondContact O-N 3.01Å; F52-M54 PolarHBondContact O-N 3.38Å; F52-K55 PolarHBondContact O-N 3.31Å; F52-L56 HydrophobicContact CE1-CD2 4.38Å; F52-L56 WeakPolarHBondContact O-CB 3.42Å; F52-L56 PolarHBondContact O-N 2.62Å
53L83.8Confident82.4Confident15 Ų1573.9 Ų73.98%0.07936%0.363CS..Hα-helixtrans-63.2-39.6178.7-70.4174.6000112.6M40 C49 R50 L56 M57M40-L53 HydrophobicContact CG-CD1 4.32Å; C49-L53 WeakPolarHBondContact O-CB 3.39Å; C49-L53 VanDerWaalsContact O-CG 3.3Å; C49-L53 WeakPolarHBondContact O-CG 3.47Å; C49-L53 PolarHBondContact O-N 3.26Å; R50-L53 PolarHBondContact O-N 2.86Å; L53-L56 PolarHBondContact O-N 3.25Å; L53-M57 PolarHBondContact O-N 2.98Å
54M86.1Confident82.6Confident101 Ų10178.7 Ų78.750%0.49838%0.38SS..Hα-helixtrans-60.3-49174.8-73.6-175.2-62.400110.9R50 F52 L56 M57 D58R50-M54 HydrophobicContact CG-CE 4.18Å; R50-M54 HydrophobicContact CG-SD 4.47Å; R50-M54 WeakPolarHBondContact O-CB 3.42Å; R50-M54 VanDerWaalsContact O-CG 3.31Å; R50-M54 WeakPolarHBondContact O-CG 3.48Å; R50-M54 PolarHBondContact O-N 3.01Å; F52-M54 PolarHBondContact O-N 3.38Å; M54-L56 VanDerWaalsContact C-N 3.31Å; M54-L56 PolarHBondContact O-N 3.07Å; M54-M57 WeakPolarHBondContact O-CB 3.32Å; M54-M57 PolarHBondContact O-N 2.89Å; M54-M57 VanDerWaalsContact O-N 3.1Å; M54-D58 PolarHBondContact O-N 3.29Å; M54-D58 VanDerWaalsContact O-N 3.09Å
55K87.1Confident82.9Confident93 Ų9382.5 Ų82.540%0.40439%0.388SS..Hα-helixtrans-64.1-36.4176.6-170.6-179.4-179174.70112.6M1 K51 F52 M57 D58 Q59M1-K55 HydrophobicContact CE-CD 3.3Å; M1-K55 HydrophobicContact SD-CD 3.7Å; M1-K55 PolarHBondContact SD-NZ 2.95Å; K51-K55 PolarHBondContact O-N 3.3Å; F52-K55 PolarHBondContact O-N 3.31Å; K55-M57 PolarHBondContact O-N 2.98Å; K55-D58 PolarHBondContact O-N 2.91Å; K55-Q59 WeakPolarHBondContact O-CG 3.45Å; K55-Q59 PolarHBondContact O-N 3.44Å; K55-Q59 VanDerWaalsContact O-N 3.09Å
56L84.9Confident82.9Confident3 Ų377.5 Ų77.52%0.01637%0.369CS..Hα-helixtrans-63.1-34.8175.7-176.761.6000111L14 R32 A35 M36 F52 L53 M54 Q59 L60L14-L56 HydrophobicContact CD2-CD1 3.71Å; L14-L56 HydrophobicContact CD2-CD2 4.35Å; R32-L56 HydrophobicContact CG-CD1 4.44Å; A35-L56 HydrophobicContact CB-CD2 4.34Å; M36-L56 HydrophobicContact CB-CD2 4.03Å; F52-L56 HydrophobicContact CE1-CD2 4.38Å; F52-L56 WeakPolarHBondContact O-CB 3.42Å; F52-L56 PolarHBondContact O-N 2.62Å; L53-L56 PolarHBondContact O-N 3.25Å; M54-L56 VanDerWaalsContact C-N 3.31Å; M54-L56 PolarHBondContact O-N 3.07Å; L56-Q59 PolarHBondContact O-N 3.16Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 PolarHBondContact O-N 2.94Å
57M83.5Confident82Confident57 Ų5775.7 Ų75.728%0.28136%0.358SS..Hα-helixtrans-68.5-43.1172.8-78.8-48.2-107.800113.8M36 L53 M54 K55 Q59 L60 E61M36-M57 HydrophobicContact CB-SD 4.28Å; M36-M57 HydrophobicContact CE-CE 3.28Å; M36-M57 HydrophobicContact CE-CG 3.58Å; M36-M57 HydrophobicContact CE-SD 3.4Å; M36-M57 WeakPolarHBondContact CE-SD 3.41Å; M36-M57 HydrophobicContact CG-CE 4.36Å; M36-M57 HydrophobicContact CG-CG 4.06Å; M36-M57 HydrophobicContact CG-SD 3.41Å; M36-M57 WeakPolarHBondContact CG-SD 3.45Å; M36-M57 HydrophobicContact SD-CE 3.45Å; M36-M57 WeakPolarHBondContact SD-CE 3.39Å; M36-M57 HydrophobicContact SD-CG 4.26Å; M36-M57 HydrophobicContact SD-SD 3.32Å; L53-M57 PolarHBondContact O-N 2.98Å; M54-M57 WeakPolarHBondContact O-CB 3.32Å; M54-M57 PolarHBondContact O-N 2.89Å; M54-M57 VanDerWaalsContact O-N 3.1Å; K55-M57 PolarHBondContact O-N 2.98Å; M57-Q59 PolarHBondContact O-N 2.87Å; M57-L60 WeakPolarHBondContact O-CA 3.32Å; M57-L60 WeakPolarHBondContact O-CB 3.47Å; M57-L60 PolarHBondContact O-N 2.92Å; M57-L60 HydrophobicContact SD-CB 4.23Å; M57-L60 HydrophobicContact SD-CD1 4.01Å; M57-L60 HydrophobicContact SD-CD2 4.5Å; M57-L60 HydrophobicContact SD-CG 4.49Å; M57-E61 PolarHBondContact O-N 3.26Å
58D87.4Confident81.4Confident99 Ų9975.7 Ų75.753%0.52935%0.349SS..Hα-helixtrans-57.8-39.7175.2-60.4-30.2000111.2M54 K55 T62M54-D58 PolarHBondContact O-N 3.29Å; M54-D58 VanDerWaalsContact O-N 3.09Å; K55-D58 PolarHBondContact O-N 2.91Å; D58-T62 PolarHBondContact O-N 3.11Å; D58-T62 VanDerWaalsContact O-N 3.11Å; D58-T62 PolarHBondContact O-OG1 2.82Å
59Q83.8Confident80.5Confident77 Ų7773.8 Ų73.836%0.3635%0.351SS..Hα-helixtrans-66.7-39174.5-70.9178.9-7.800112.5K55 L56 M57 T62 V63K55-Q59 WeakPolarHBondContact O-CG 3.45Å; K55-Q59 PolarHBondContact O-N 3.44Å; K55-Q59 VanDerWaalsContact O-N 3.09Å; L56-Q59 PolarHBondContact O-N 3.16Å; M57-Q59 PolarHBondContact O-N 2.87Å; Q59-T62 PolarHBondContact O-N 3.38Å; Q59-V63 WeakPolarHBondContact O-CG2 3.45Å; Q59-V63 PolarHBondContact O-N 3.1Å
60L83.3Confident79.5Confident8 Ų880 Ų804%0.04238%0.381CS..Hα-helixtrans-65.8-43.5177.7-171.8152.5000111.2Y29 R32 L33 L56 M57 T62 V63 R64Y29-L60 HydrophobicContact CD2-CD2 4.38Å; Y29-L60 HydrophobicContact CD2-CG 4.3Å; Y29-L60 HydrophobicContact CE2-CD2 3.54Å; Y29-L60 HydrophobicContact CE2-CG 3.91Å; R32-L60 HydrophobicContact CB-CD1 4.46Å; L33-L60 HydrophobicContact CB-CD1 4.01Å; L33-L60 HydrophobicContact CD1-CD1 3.92Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 PolarHBondContact O-N 2.94Å; M57-L60 WeakPolarHBondContact O-CA 3.32Å; M57-L60 WeakPolarHBondContact O-CB 3.47Å; M57-L60 PolarHBondContact O-N 2.92Å; M57-L60 HydrophobicContact SD-CB 4.23Å; M57-L60 HydrophobicContact SD-CD1 4.01Å; M57-L60 HydrophobicContact SD-CD2 4.5Å; M57-L60 HydrophobicContact SD-CG 4.49Å; L60-T62 VanDerWaalsContact C-N 3.3Å; L60-T62 PolarHBondContact O-N 3.39Å; L60-V63 PolarHBondContact O-N 3.49Å; L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 3.43Å
61E84Confident78.2Confident108 Ų10875.5 Ų75.551%0.50537%0.373SS..Hα-helixtrans-61.4-39.8174.9-72.3-172.7-177.300112M57 R64 K65M57-E61 PolarHBondContact O-N 3.26Å; E61-R64 WeakPolarHBondContact O-CB 3.18Å; E61-R64 PolarHBondContact O-N 3.49Å; E61-K65 WeakPolarHBondContact O-CG 3.29Å; E61-K65 PolarHBondContact O-N 3.27Å
62T83.9Confident76.6Confident83 Ų8374.3 Ų74.351%0.50938%0.381SS..Hα-helixtrans-62.3-48.1175.8-560000111.1D58 Q59 L60 R64 K65 I66D58-T62 PolarHBondContact O-N 3.11Å; D58-T62 VanDerWaalsContact O-N 3.11Å; D58-T62 PolarHBondContact O-OG1 2.82Å; Q59-T62 PolarHBondContact O-N 3.38Å; L60-T62 VanDerWaalsContact C-N 3.3Å; L60-T62 PolarHBondContact O-N 3.39Å; T62-R64 VanDerWaalsContact C-N 3.31Å; T62-R64 PolarHBondContact O-N 3.36Å; T62-K65 PolarHBondContact O-N 3.39Å; T62-I66 HydrophobicContact CG2-CD1 4.27Å; T62-I66 WeakPolarHBondContact O-CG1 3.49Å; T62-I66 PolarHBondContact O-N 3.23Å; T62-I66 VanDerWaalsContact O-N 3.17Å
63V76.9Confident75Confident8 Ų876.2 Ų76.25%0.04839%0.39CS..Hα-helixtrans-66.8-33.8177.2175.50000112.1Y29 Q59 L60 I66 T67Y29-V63 HydrophobicContact CD2-CG1 4.27Å; Q59-V63 WeakPolarHBondContact O-CG2 3.45Å; Q59-V63 PolarHBondContact O-N 3.1Å; L60-V63 PolarHBondContact O-N 3.49Å; V63-I66 PolarHBondContact O-N 3Å; V63-T67 WeakPolarHBondContact O-CB 3.48Å; V63-T67 PolarHBondContact O-N 3.46Å; V63-T67 PolarHBondContact O-OG1 3.42Å
64R79Confident73.5Confident121 Ų12181.5 Ų81.546%0.45741%0.413SS..Hα-helixtrans-59.4-48.4174.6-172.2-179.1166.3-178.7-0.7110.8Y29 L60 E61 T62 I66 T67 E68 F73Y29-R64 HydrophobicContact CD2-CB 4.22Å; Y29-R64 HydrophobicContact CE2-CB 3.7Å; Y29-R64 HydrophobicContact CE2-CG 4.04Å; L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 3.43Å; E61-R64 WeakPolarHBondContact O-CB 3.18Å; E61-R64 PolarHBondContact O-N 3.49Å; T62-R64 VanDerWaalsContact C-N 3.31Å; T62-R64 PolarHBondContact O-N 3.36Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 2.94Å; R64-T67 PolarHBondContact O-N 2.82Å; R64-E68 IonicContact NE-OE2 2.84Å; R64-E68 WeakPolarHBondContact O-CB 3.08Å; R64-E68 PolarHBondContact O-N 3.16Å; R64-F73 HydrophobicContact CG-CE2 4.44Å
65K80.1Confident71.9Confident149 Ų14979.9 Ų79.965%0.64841%0.412SS*.Hα-helixtrans-59.1-42.6177.6-72.9177.5-177.6176.10112E61 T62 S69E61-K65 WeakPolarHBondContact O-CG 3.29Å; E61-K65 PolarHBondContact O-N 3.27Å; T62-K65 PolarHBondContact O-N 3.39Å; K65-S69 PolarHBondContact O-N 3.36Å
66I75.6Confident70.3Confident86 Ų8679.8 Ų79.844%0.44142%0.42SS..Hα-helixtrans-63.4-47.9176.2-64.1165.4000110.3T62 V63 R64 E68 S69 E70T62-I66 HydrophobicContact CG2-CD1 4.27Å; T62-I66 WeakPolarHBondContact O-CG1 3.49Å; T62-I66 PolarHBondContact O-N 3.23Å; T62-I66 VanDerWaalsContact O-N 3.17Å; V63-I66 PolarHBondContact O-N 3Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 2.94Å; I66-E68 PolarHBondContact O-N 3.12Å; I66-S69 PolarHBondContact O-N 3.24Å; I66-S69 PolarHBondContact O-OG 3.34Å; I66-E70 PolarHBondContact O-N 3.44Å
67T67.3Low68.9Low2 Ų285.8 Ų85.81%0.01245%0.447CS..Hα-helixtrans-66-38.8-178-53.80000112.3V26 V63 R64 S69 E70 S71 F73V26-T67 HydrophobicContact CG2-CG2 4.01Å; V63-T67 WeakPolarHBondContact O-CB 3.48Å; V63-T67 PolarHBondContact O-N 3.46Å; V63-T67 PolarHBondContact O-OG1 3.42Å; R64-T67 PolarHBondContact O-N 2.82Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.1Å; T67-E70 PolarHBondContact O-N 3.05Å; T67-S71 PolarHBondContact O-N 3.11Å; T67-F73 HydrophobicContact CG2-CE2 3.93Å; T67-F73 HydrophobicContact CG2-CZ 4.42Å
68E67.9Low67.7Low102 Ų10283.7 Ų83.748%0.47744%0.437SS..Hα-helixtrans-67.9-26177.9-171.9161.8-160.600112.3R64 I66 F73R64-E68 IonicContact NE-OE2 2.84Å; R64-E68 WeakPolarHBondContact O-CB 3.08Å; R64-E68 PolarHBondContact O-N 3.16Å; I66-E68 PolarHBondContact O-N 3.12Å; E68-F73 HydrophobicContact CB-CD2 4.34Å
69S64.1Low66.3Low99 Ų9982.7 Ų82.769%0.69243%0.428SS*.Hα-helixtrans-75.7-28.5173.675.50000113.9K65 I66 T67K65-S69 PolarHBondContact O-N 3.36Å; I66-S69 PolarHBondContact O-N 3.24Å; I66-S69 PolarHBondContact O-OG 3.34Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.1Å
70E59.2Low64.8Low131 Ų13184 Ų8461%0.61243%0.434SS*.Hα-helixtrans-90.2-22.3-179.5-77.3-165.2127.900113.7P25 I66 T67P25-E70 WeakPolarHBondContact CG-OE2 3.35Å; I66-E70 PolarHBondContact O-N 3.44Å; T67-E70 PolarHBondContact O-N 3.05Å
71S53.1Low63.7Low63 Ų6386.2 Ų86.244%0.44145%0.448SS..SBendtrans-159.2137.6-179.8-65.30000112.5T67 F73T67-S71 PolarHBondContact O-N 3.11Å; S71-F73 PolarHBondContact O-N 2.99Å
72P51.9Low62.6Low129 Ų12981.2 Ų81.284%0.83842%0.424SS*.  trans-59.9123.7170.5-19.330.4000110.7H74P72-H74 PolarHBondContact O-N 2.84Å
73F52.9Low61.2Low67 Ų6778.8 Ų78.829%0.29441%0.41SS..  trans-61.3102.9177.1-109.1-98.4000110.3Y29 R64 T67 E68 S71 Q78Y29-F73 HydrophobicContact CD1-CZ 4.02Å; Y29-F73 AromaticContact CE1-CE1 3.91Å; Y29-F73 HydrophobicContact CE1-CE1 3.91Å; Y29-F73 AromaticContact CE1-CZ 3.64Å; Y29-F73 HydrophobicContact CE1-CZ 3.64Å; R64-F73 HydrophobicContact CG-CE2 4.44Å; T67-F73 HydrophobicContact CG2-CE2 3.93Å; T67-F73 HydrophobicContact CG2-CZ 4.42Å; E68-F73 HydrophobicContact CB-CD2 4.34Å; S71-F73 PolarHBondContact O-N 2.99Å; F73-Q78 VanDerWaalsContact CE1-NE2 3.27Å
74H50.7Low60.3Low125 Ų12581.3 Ų81.358%0.57942%0.424SS*.  trans-114.3112.9158.1-13778.5000108.2P72 T76 Q77 Q78P72-H74 PolarHBondContact O-N 2.84Å; H74-T76 PolarHBondContact O-N 2.95Å; H74-T76 VanDerWaalsContact O-N 3.11Å; H74-Q77 HydrophobicContact CB-CB 4.12Å; H74-Q77 WeakPolarHBondContact O-CB 3.27Å; H74-Q77 PolarHBondContact O-N 2.85Å; H74-Q78 PolarHBondContact O-N 3.37Å; H74-Q78 VanDerWaalsContact O-N 3.11Å; H74-Q78 PolarHBondContact O-OE1 2.94Å
75S53.8Low59.4Low68 Ų6878.6 Ų78.648%0.47642%0.415SS..Hα-helixtrans-55.8-31.1-174.854.90000112.6K79S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 2.99Å; S75-K79 PolarHBondContact O-N 3.4Å
76T52.2Low58.4Low91 Ų9171.8 Ų71.856%0.55839%0.386SS*.Hα-helixtrans-73.3-40175.9-42.40000112.9H74 Q78 H80H74-T76 PolarHBondContact O-N 2.95Å; H74-T76 VanDerWaalsContact O-N 3.11Å; T76-Q78 VanDerWaalsContact C-N 3.33Å; T76-H80 WeakPolarHBondContact O-CB 3.42Å; T76-H80 PolarHBondContact O-N 3.38Å; T76-H80 VanDerWaalsContact O-N 3.07Å
77Q55.7Low57.3Low128 Ų12869.6 Ų69.660%0.59838%0.378SS*.Hα-helixtrans-65.7-40.6178.1-162.677.52300110.3H74 H80 T81H74-Q77 HydrophobicContact CB-CB 4.12Å; H74-Q77 WeakPolarHBondContact O-CB 3.27Å; H74-Q77 PolarHBondContact O-N 2.85Å; Q77-H80 PolarHBondContact O-N 3.46Å; Q77-T81 PolarHBondContact O-N 3.26Å; Q77-T81 PolarHBondContact O-OG1 2.9Å
78Q59.2Low56.7Low13 Ų1374.2 Ų74.26%0.06140%0.403CS..Hα-helixtrans-68.4-40.8-179.7-69.9164-36.100112.5Y30 F73 H74 T76 H80 T81 I82Y30-Q78 HydrophobicContact CE2-CB 3.86Å; Y30-Q78 HydrophobicContact CE2-CG 4.25Å; Y30-Q78 VanDerWaalsContact OH-CB 3.22Å; Y30-Q78 WeakPolarHBondContact OH-CB 3.23Å; Y30-Q78 PolarHBondContact OH-OE1 3.45Å; F73-Q78 VanDerWaalsContact CE1-NE2 3.27Å; H74-Q78 PolarHBondContact O-N 3.37Å; H74-Q78 VanDerWaalsContact O-N 3.11Å; H74-Q78 PolarHBondContact O-OE1 2.94Å; T76-Q78 VanDerWaalsContact C-N 3.33Å; Q78-H80 VanDerWaalsContact C-N 3.33Å; Q78-H80 PolarHBondContact O-N 3.03Å; Q78-T81 PolarHBondContact O-N 2.95Å; Q78-I82 WeakPolarHBondContact O-CD1 3.31Å; Q78-I82 WeakPolarHBondContact O-CG1 3.46Å; Q78-I82 PolarHBondContact O-N 3.13Å
79K57Low56.2Low79 Ų7973.2 Ų73.234%0.34340%0.397SS..Hα-helixtrans-55.4-48.8168.4-75.4178.7-154.6-1590111.3S75 I82 C83 F124S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 2.99Å; S75-K79 PolarHBondContact O-N 3.4Å; K79-I82 PolarHBondContact O-N 3.33Å; K79-C83 VanDerWaalsContact O-CB 3.22Å; K79-C83 WeakPolarHBondContact O-CB 3.44Å; K79-C83 PolarHBondContact O-N 3.4Å; K79-F124 HydrophobicContact CD-CB 3.62Å; K79-F124 HydrophobicContact CD-CD1 3.91Å; K79-F124 HydrophobicContact CD-CG 3.9Å; K79-F124 VanDerWaalsContact CE-CB 3.42Å; K79-F124 VanDerWaalsContact CE-CD1 3.46Å; K79-F124 HydrophobicContact CG-CB 3.59Å; K79-F124 HydrophobicContact CG-CD1 3.27Å; K79-F124 HydrophobicContact CG-CD2 3.84Å; K79-F124 HydrophobicContact CG-CE1 3.67Å; K79-F124 HydrophobicContact CG-CE2 4.24Å; K79-F124 HydrophobicContact CG-CG 3.31Å; K79-F124 HydrophobicContact CG-CZ 4.11Å; K79-F124 PolarHBondContact NZ-O 3.22Å
80H54Low55.7Low103 Ų10371.8 Ų71.848%0.47738%0.377SS..Hα-helixtrans-65.3-39.8-179-166.865.4000111.6T76 Q77 Q78 C83 N84T76-H80 WeakPolarHBondContact O-CB 3.42Å; T76-H80 PolarHBondContact O-N 3.38Å; T76-H80 VanDerWaalsContact O-N 3.07Å; Q77-H80 PolarHBondContact O-N 3.46Å; Q78-H80 VanDerWaalsContact C-N 3.33Å; Q78-H80 PolarHBondContact O-N 3.03Å; H80-C83 PolarHBondContact O-N 3.47Å; H80-N84 PolarHBondContact CD2-ND2 2.68Å; H80-N84 PolarHBondContact CE1-ND2 3.15Å; H80-N84 PolarHBondContact CE1-OD1 3.28Å; H80-N84 PolarHBondContact NE2-ND2 3.48Å; H80-N84 WeakPolarHBondContact O-CB 3.36Å; H80-N84 PolarHBondContact O-N 3.09Å
81T58.6Low55.3Low55 Ų5569.6 Ų69.634%0.33737%0.373SS..Hα-helixtrans-62.3-45.7174.9-58.20000112Q77 Q78 K85Q77-T81 PolarHBondContact O-N 3.26Å; Q77-T81 PolarHBondContact O-OG1 2.9Å; Q78-T81 PolarHBondContact O-N 2.95Å; T81-K85 HydrophobicContact CG2-CG 4.43Å; T81-K85 WeakPolarHBondContact O-CB 3.33Å; T81-K85 WeakPolarHBondContact O-CG 3.48Å; T81-K85 PolarHBondContact O-N 3.05Å
82I61.2Low55.2Low3 Ų372 Ų722%0.01538%0.38CS..Hα-helixtrans-70-39.3-179.1-64.7158.7000111.1Y30 Q78 K79 T86 L121 F124Y30-I82 HydrophobicContact CD2-CD1 3.34Å; Y30-I82 HydrophobicContact CE2-CD1 3.81Å; Y30-I82 HydrophobicContact CG-CD1 3.73Å; Q78-I82 WeakPolarHBondContact O-CD1 3.31Å; Q78-I82 WeakPolarHBondContact O-CG1 3.46Å; Q78-I82 PolarHBondContact O-N 3.13Å; K79-I82 PolarHBondContact O-N 3.33Å; I82-T86 PolarHBondContact O-N 2.81Å; I82-T86 PolarHBondContact O-OG1 3.01Å; I82-L121 HydrophobicContact CB-CD2 3.97Å; I82-L121 HydrophobicContact CG2-CD1 4.48Å; I82-L121 HydrophobicContact CG2-CD2 3.64Å; I82-L121 HydrophobicContact CG2-CG 3.86Å; I82-F124 HydrophobicContact CD1-CE2 3.6Å; I82-F124 HydrophobicContact CD1-CZ 3.66Å
83C55.5Low55.3Low32 Ų3266.4 Ų66.422%0.21634%0.342CS..Hα-helixtrans-63.3-51.3174.8-167.20000111K79 H80 K85 T86 S87 L121K79-C83 VanDerWaalsContact O-CB 3.22Å; K79-C83 WeakPolarHBondContact O-CB 3.44Å; K79-C83 PolarHBondContact O-N 3.4Å; H80-C83 PolarHBondContact O-N 3.47Å; C83-K85 PolarHBondContact O-N 3.17Å; C83-T86 PolarHBondContact O-N 3.31Å; C83-T86 VanDerWaalsContact O-N 3.14Å; C83-S87 WeakPolarHBondContact O-CB 3.38Å; C83-S87 PolarHBondContact O-N 3.39Å; C83-S87 PolarHBondContact O-OG 3.4Å; C83-L121 HydrophobicContact CB-CD1 4.47Å; C83-L121 HydrophobicContact CB-CD2 4.46Å
84N56.8Low55.2Low62 Ų6266.7 Ų66.733%0.33235%0.346SS..Hα-helixtrans-60-44.5176.3-73.4-6.1000111.5H80 T86 S87 D88H80-N84 PolarHBondContact CD2-ND2 2.68Å; H80-N84 PolarHBondContact CE1-ND2 3.15Å; H80-N84 PolarHBondContact CE1-OD1 3.28Å; H80-N84 PolarHBondContact NE2-ND2 3.48Å; H80-N84 WeakPolarHBondContact O-CB 3.36Å; H80-N84 PolarHBondContact O-N 3.09Å; N84-T86 VanDerWaalsContact C-N 3.28Å; N84-T86 PolarHBondContact O-N 3.44Å; N84-S87 CarbonylContact O-C 3.43Å; N84-S87 PolarHBondContact O-N 3.11Å; N84-D88 VanDerWaalsContact O-CB 3.28Å; N84-D88 WeakPolarHBondContact O-CB 3.48Å; N84-D88 PolarHBondContact O-N 3.34Å
85K61.2Low55Low63 Ų6364 Ų6427%0.27434%0.341SS..Hα-helixtrans-60.1-39.9176.6-74.1-139.6175.1177.90111.9D24 T81 C83 D88 F89D24-K85 IonicContact OD1-NZ 3.77Å; D24-K85 PolarHBondContact OD1-NZ 3.49Å; D24-K85 IonicContact OD2-NZ 3.9Å; D24-K85 PolarHBondContact OD2-NZ 3.5Å; T81-K85 HydrophobicContact CG2-CG 4.43Å; T81-K85 WeakPolarHBondContact O-CB 3.33Å; T81-K85 WeakPolarHBondContact O-CG 3.48Å; T81-K85 PolarHBondContact O-N 3.05Å; C83-K85 PolarHBondContact O-N 3.17Å; K85-D88 PolarHBondContact O-N 2.93Å; K85-F89 WeakPolarHBondContact O-CB 3.34Å; K85-F89 WeakPolarHBondContact O-CD2 3.35Å; K85-F89 PolarHBondContact O-N 3.04Å
86T58Low54.8Low6 Ų664 Ų644%0.03734%0.339CS..Hα-helixtrans-71.1-36.4178.6-46.30000111.9I82 C83 N84 R90 L117 M118I82-T86 PolarHBondContact O-N 2.81Å; I82-T86 PolarHBondContact O-OG1 3.01Å; C83-T86 PolarHBondContact O-N 3.31Å; C83-T86 VanDerWaalsContact O-N 3.14Å; N84-T86 VanDerWaalsContact C-N 3.28Å; N84-T86 PolarHBondContact O-N 3.44Å; T86-R90 WeakPolarHBondContact O-CB 3.47Å; T86-R90 PolarHBondContact O-N 3.42Å; T86-L117 HydrophobicContact CG2-CB 4.43Å; T86-M118 HydrophobicContact CG2-CE 3.15Å; T86-M118 HydrophobicContact CG2-CG 4.08Å; T86-M118 HydrophobicContact CG2-SD 4.43Å
87S52.7Low54.7Low40 Ų4061.1 Ų61.128%0.2832%0.32SS..Hα-helixtrans-68-36.3172.5-63.50000112.8C83 N84 R90 T91C83-S87 WeakPolarHBondContact O-CB 3.38Å; C83-S87 PolarHBondContact O-N 3.39Å; C83-S87 PolarHBondContact O-OG 3.4Å; N84-S87 CarbonylContact O-C 3.43Å; N84-S87 PolarHBondContact O-N 3.11Å; S87-R90 PolarHBondContact O-N 3.36Å; S87-T91 VanDerWaalsContact O-CB 3.29Å; S87-T91 WeakPolarHBondContact O-CB 3.5Å; S87-T91 PolarHBondContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 2.86Å
88D54.6Low54.3Low100 Ų10061.6 Ų61.654%0.53533%0.327SS..Hα-helixtrans-69.7-43.7175.4-70.6-26.6000110.4N84 K85 R90 T91 L92N84-D88 VanDerWaalsContact O-CB 3.28Å; N84-D88 WeakPolarHBondContact O-CB 3.48Å; N84-D88 PolarHBondContact O-N 3.34Å; K85-D88 PolarHBondContact O-N 2.93Å; D88-R90 VanDerWaalsContact C-N 3.28Å; D88-R90 PolarHBondContact O-N 3.1Å; D88-T91 PolarHBondContact O-N 3.36Å; D88-L92 WeakPolarHBondContact O-CB 3.25Å; D88-L92 PolarHBondContact O-N 3.3Å
89F57.5Low53.7Low80 Ų8071.3 Ų71.335%0.35136%0.363SS..Hα-helixtrans-59.6-40172.5-92.1-72.3000111.6K85 Y93K85-F89 WeakPolarHBondContact O-CB 3.34Å; K85-F89 WeakPolarHBondContact O-CD2 3.35Å; K85-F89 PolarHBondContact O-N 3.04Å; F89-Y93 WeakPolarHBondContact O-CB 3.37Å; F89-Y93 PolarHBondContact O-N 2.87Å
90R54.1Low53Low70 Ų7075.9 Ų75.926%0.26439%0.385SS..Hα-helixtrans-68.9-39.5176-171.3172-167.6-12712.3112.7T86 S87 D88 Y93 L94 H134T86-R90 WeakPolarHBondContact O-CB 3.47Å; T86-R90 PolarHBondContact O-N 3.42Å; S87-R90 PolarHBondContact O-N 3.36Å; D88-R90 VanDerWaalsContact C-N 3.28Å; D88-R90 PolarHBondContact O-N 3.1Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 PolarHBondContact O-N 3.12Å; R90-L94 HydrophobicContact CG-CD1 4.39Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.32Å; R90-H134 PolarHBondContact NH1-CD2 3.14Å; R90-H134 PolarHBondContact NH1-CE1 3.19Å; R90-H134 PolarHBondContact NH1-NE2 3.29Å; R90-H134 PolarHBondContact NH2-CD2 2.98Å
91T50.7Low53Low85 Ų8573.7 Ų73.752%0.52139%0.391SS..Hα-helixtrans-74.7-39.6-179.7-57.10000111.5S87 D88 Y93 L94 S95S87-T91 VanDerWaalsContact O-CB 3.29Å; S87-T91 WeakPolarHBondContact O-CB 3.5Å; S87-T91 PolarHBondContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 2.86Å; D88-T91 PolarHBondContact O-N 3.36Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.39Å; T91-L94 PolarHBondContact O-N 3.46Å; T91-S95 WeakPolarHBondContact O-CB 3.41Å; T91-S95 PolarHBondContact O-N 3.3Å; T91-S95 PolarHBondContact O-OG 2.91Å
92L51.9Low52.9Low113 Ų11381.1 Ų81.159%0.59241%0.412SS*.Hα-helixtrans-64.7-33.4171.7-159.197.3000111.3D88 S95 T96D88-L92 WeakPolarHBondContact O-CB 3.25Å; D88-L92 PolarHBondContact O-N 3.3Å; L92-S95 WeakPolarHBondContact CA-OG 3.25Å; L92-S95 PolarHBondContact O-OG 2.88Å; L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-N 3.3Å; L92-T96 PolarHBondContact O-OG1 3.17Å
93Y53.3Low53Low12 Ų1282.5 Ų82.55%0.04742%0.418CS..Hα-helixtrans-70.6-47173.1171-86.8000112.1F89 R90 T91 S95 T96 N97 M107 F111 I145F89-Y93 WeakPolarHBondContact O-CB 3.37Å; F89-Y93 PolarHBondContact O-N 2.87Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 PolarHBondContact O-N 3.12Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.39Å; Y93-S95 PolarHBondContact O-N 3.26Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.37Å; Y93-T96 PolarHBondContact O-N 2.89Å; Y93-T96 PolarHBondContact O-OG1 3.3Å; Y93-N97 HydrophobicContact CE1-CB 4.46Å; Y93-N97 WeakPolarHBondContact CE2-OD1 3.47Å; Y93-N97 WeakPolarHBondContact O-CB 3.46Å; Y93-N97 PolarHBondContact O-N 3.4Å; Y93-N97 PolarHBondContact O-OD1 3.24Å; Y93-N97 PolarHBondContact OH-ND2 3.12Å; Y93-N97 PolarHBondContact OH-OD1 3.48Å; Y93-M107 HydrophobicContact CD2-CE 4.4Å; Y93-M107 HydrophobicContact CD2-CG 3.7Å; Y93-M107 HydrophobicContact CD2-SD 3.33Å; Y93-M107 WeakPolarHBondContact CD2-SD 3.49Å; Y93-M107 HydrophobicContact CE2-CE 3.91Å; Y93-M107 HydrophobicContact CE2-CG 3.25Å; Y93-M107 HydrophobicContact CE2-SD 3.28Å; Y93-M107 WeakPolarHBondContact CE2-SD 3.44Å; Y93-F111 AromaticContact CD1-CE1 3.73Å; Y93-F111 HydrophobicContact CD1-CE1 3.73Å; Y93-F111 HydrophobicContact CD1-CE2 4.16Å; Y93-F111 AromaticContact CD1-CZ 3.48Å; Y93-F111 HydrophobicContact CD1-CZ 3.48Å; Y93-F111 VanDerWaalsContact CD1-CZ 3.48Å; Y93-F111 HydrophobicContact CD2-CD2 4.09Å; Y93-F111 HydrophobicContact CD2-CE1 4.35Å; Y93-F111 AromaticContact CD2-CE2 3.71Å; Y93-F111 HydrophobicContact CD2-CE2 3.71Å; Y93-F111 AromaticContact CD2-CZ 3.89Å; Y93-F111 HydrophobicContact CD2-CZ 3.89Å; Y93-F111 AromaticContact CE1-CE1 3.68Å; Y93-F111 HydrophobicContact CE1-CE1 3.68Å; Y93-F111 AromaticContact CE1-CE2 3.57Å; Y93-F111 HydrophobicContact CE1-CE2 3.57Å; Y93-F111 AromaticContact CE1-CZ 2.95Å; Y93-F111 HydrophobicContact CE1-CZ 2.95Å; Y93-F111 AromaticContact CE2-CD2 3.65Å; Y93-F111 HydrophobicContact CE2-CD2 3.65Å; Y93-F111 HydrophobicContact CE2-CE1 4.24Å; Y93-F111 AromaticContact CE2-CE2 2.97Å; Y93-F111 HydrophobicContact CE2-CE2 2.97Å; Y93-F111 AromaticContact CE2-CZ 3.36Å; Y93-F111 HydrophobicContact CE2-CZ 3.36Å; Y93-F111 HydrophobicContact CG-CE1 4.12Å; Y93-F111 HydrophobicContact CG-CE2 4.25Å; Y93-F111 AromaticContact CG-CZ 3.95Å; Y93-F111 HydrophobicContact CG-CZ 3.95Å; Y93-F111 AromaticContact CZ-CE1 3.94Å; Y93-F111 AromaticContact CZ-CE2 2.91Å; Y93-F111 AromaticContact CZ-CZ 2.88Å; Y93-F111 WeakPolarHBondContact OH-CE2 3.11Å; Y93-F111 WeakPolarHBondContact OH-CZ 3.28Å; Y93-I145 WeakPolarHBondContact OH-CD1 3.39Å
94L49.9Very low53.6Low73 Ų7383.7 Ų83.738%0.38243%0.427SS..Hα-helixtrans-60-37.7174.5-73.3165.8000110.8R90 T91 N98R90-L94 HydrophobicContact CG-CD1 4.39Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.32Å; T91-L94 PolarHBondContact O-N 3.46Å; L94-N98 PolarHBondContact O-N 3.3Å; L94-N98 PolarHBondContact O-ND2 3Å
95S46.9Very low54.4Low67 Ų6789 Ų8947%0.46944%0.442SS..Hα-helixtrans-74.8-31.2177.770.20000113.9T91 L92 Y93T91-S95 WeakPolarHBondContact O-CB 3.41Å; T91-S95 PolarHBondContact O-N 3.3Å; T91-S95 PolarHBondContact O-OG 2.91Å; L92-S95 WeakPolarHBondContact CA-OG 3.25Å; L92-S95 PolarHBondContact O-OG 2.88Å; Y93-S95 PolarHBondContact O-N 3.26Å
96T50Low55Low70 Ų7090.8 Ų90.843%0.42946%0.455SS..Hα-helixtrans-75.6-31.6171.835.70000112.7L92 Y93 N98 R99L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-N 3.3Å; L92-T96 PolarHBondContact O-OG1 3.17Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.37Å; Y93-T96 PolarHBondContact O-N 2.89Å; Y93-T96 PolarHBondContact O-OG1 3.3Å; T96-N98 VanDerWaalsContact C-N 3.27Å; T96-N98 PolarHBondContact O-N 3.4Å; T96-R99 CarbonylContact O-C 3.28Å; T96-R99 PolarHBondContact O-N 2.98Å
97N49.7Very low55.6Low29 Ų2991.7 Ų91.716%0.15546%0.459CS..Hα-helixtrans-68.7-22.5171.7-88.347.1000114.5Y93 M107Y93-N97 HydrophobicContact CE1-CB 4.46Å; Y93-N97 WeakPolarHBondContact CE2-OD1 3.47Å; Y93-N97 WeakPolarHBondContact O-CB 3.46Å; Y93-N97 PolarHBondContact O-N 3.4Å; Y93-N97 PolarHBondContact O-OD1 3.24Å; Y93-N97 PolarHBondContact OH-ND2 3.12Å; Y93-N97 PolarHBondContact OH-OD1 3.48Å; N97-M107 WeakPolarHBondContact OD1-CE 3.01Å
98N46.7Very low56.7Low139 Ų13990.1 Ų90.174%0.74345%0.447SS*.THydrogen-bonded Turntrans-78.6-5.5170.1-80.9-73.6000112.6L94 T96L94-N98 PolarHBondContact O-N 3.3Å; L94-N98 PolarHBondContact O-ND2 3Å; T96-N98 VanDerWaalsContact C-N 3.27Å; T96-N98 PolarHBondContact O-N 3.4Å
99R47.7Very low57.7Low217 Ų21787.8 Ų87.882%0.81943%0.433SS*.SBendtrans-112.382.7173-112.5179.7161.9177.7-5109.9T96T96-R99 CarbonylContact O-C 3.28Å; T96-R99 PolarHBondContact O-N 2.98Å
100E42.9Very low58.6Low175 Ų17586.1 Ų86.182%0.81843%0.431SS*.THydrogen-bonded Turntrans40.497.3161.2-59.8-169.3157.900117.9R102E100-R102 WeakPolarHBondContact O-CG 3.44Å; E100-R102 PolarHBondContact O-N 3.5Å
101G53.3Low59.6Low57 Ų5783.1 Ų83.159%0.58842%0.42SS*.THydrogen-bonded Turntrans60.53.4139.600000120F103G101-F103 PolarHBondContact O-N 2.93Å
102R57.2Low61Low210 Ų21081.4 Ų81.479%0.79240%0.404SS*.  trans-92.863.6-175.6-72-85169168.8-5.8111.7E100 S104E100-R102 WeakPolarHBondContact O-CG 3.44Å; E100-R102 PolarHBondContact O-N 3.5Å; R102-S104 PolarHBondContact O-N 3.33Å; R102-S104 PolarHBondContact O-OG 3.01Å
103F63Low62.2Low32 Ų3276.9 Ų76.914%0.1438%0.381CS..  trans-63.3108.5170.4-61.2-77000109.8G101 I145 L149 P155G101-F103 PolarHBondContact O-N 2.93Å; F103-I145 HydrophobicContact CB-CG2 4.17Å; F103-I145 HydrophobicContact CD1-CD1 4.18Å; F103-I145 HydrophobicContact CD1-CG1 4.35Å; F103-I145 HydrophobicContact CD1-CG2 3.98Å; F103-I145 HydrophobicContact CE1-CD1 4.32Å; F103-I145 HydrophobicContact CE1-CG1 4.49Å; F103-I145 HydrophobicContact CG-CG2 4.37Å; F103-L149 HydrophobicContact CB-CD1 4.37Å; F103-L149 HydrophobicContact CB-CD2 4.08Å; F103-P155 HydrophobicContact CB-CG 4.3Å; F103-P155 HydrophobicContact CD1-CB 4.47Å; F103-P155 HydrophobicContact CD1-CG 3.81Å; F103-P155 HydrophobicContact CD2-CB 4.47Å; F103-P155 HydrophobicContact CD2-CG 3.51Å; F103-P155 HydrophobicContact CE1-CB 4.11Å; F103-P155 HydrophobicContact CE1-CG 3.91Å; F103-P155 HydrophobicContact CE2-CB 4.1Å; F103-P155 HydrophobicContact CE2-CG 3.61Å; F103-P155 WeakPolarHBondContact CE2-O 3.29Å; F103-P155 HydrophobicContact CG-CG 3.6Å; F103-P155 HydrophobicContact CZ-CB 3.9Å; F103-P155 HydrophobicContact CZ-CG 3.81Å; F103-P155 WeakPolarHBondContact CZ-O 3.36Å
104S67.9Low63.3Low57 Ų5776.8 Ų76.840%0.39938%0.382SS..  trans-109.3153-175.7-62.70000110.7R102 N106 M107 I108R102-S104 PolarHBondContact O-N 3.33Å; R102-S104 PolarHBondContact O-OG 3.01Å; S104-N106 PolarHBondContact O-N 3.48Å; S104-N106 VanDerWaalsContact O-N 3.16Å; S104-M107 WeakPolarHBondContact O-CA 3.34Å; S104-M107 WeakPolarHBondContact O-CB 3.44Å; S104-M107 PolarHBondContact O-N 3.2Å; S104-I108 PolarHBondContact O-N 3.26Å
105R73.1Confident64.7Low173 Ų17373.3 Ų73.365%0.65336%0.364SS*.Hα-helixtrans-57.5-31.6173.7-64.2-176.2-165.1-173.84.1112.6M107 I108 K109 L178R105-M107 PolarHBondContact O-N 2.97Å; R105-I108 PolarHBondContact O-N 3.31Å; R105-K109 WeakPolarHBondContact O-CG 3.43Å; R105-K109 PolarHBondContact O-N 3.18Å; R105-K109 VanDerWaalsContact O-N 3.1Å; R105-L178 HydrophobicContact CB-CD2 4.36Å
106N72.9Confident66.3Low101 Ų10170.4 Ų70.454%0.5434%0.343SS..Hα-helixtrans-63.3-31174.2-64.9-17.1000112.4S104 K109 S110S104-N106 PolarHBondContact O-N 3.48Å; S104-N106 VanDerWaalsContact O-N 3.16Å; N106-K109 WeakPolarHBondContact O-CB 3.43Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-S110 PolarHBondContact O-N 2.99Å; N106-S110 PolarHBondContact O-OG 3.31Å
107M70.9Confident67.6Low25 Ų2567.3 Ų67.312%0.12332%0.324CS..Hα-helixtrans-66.3-47.7177.8-163.794.198.500111.6Y93 N97 S104 R105 K109 S110 F111Y93-M107 HydrophobicContact CD2-CE 4.4Å; Y93-M107 HydrophobicContact CD2-CG 3.7Å; Y93-M107 HydrophobicContact CD2-SD 3.33Å; Y93-M107 WeakPolarHBondContact CD2-SD 3.49Å; Y93-M107 HydrophobicContact CE2-CE 3.91Å; Y93-M107 HydrophobicContact CE2-CG 3.25Å; Y93-M107 HydrophobicContact CE2-SD 3.28Å; Y93-M107 WeakPolarHBondContact CE2-SD 3.44Å; N97-M107 WeakPolarHBondContact OD1-CE 3.01Å; S104-M107 WeakPolarHBondContact O-CA 3.34Å; S104-M107 WeakPolarHBondContact O-CB 3.44Å; S104-M107 PolarHBondContact O-N 3.2Å; R105-M107 PolarHBondContact O-N 2.97Å; M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 3.21Å; M107-S110 PolarHBondContact O-N 2.79Å; M107-F111 WeakPolarHBondContact O-CD2 3.23Å; M107-F111 PolarHBondContact O-N 3.21Å
108I75.5Confident68.9Low7 Ų766.1 Ų66.14%0.03632%0.317CS..Hα-helixtrans-60.3-44.5175.8-61.5165.1000109.5S104 R105 S110 F111 Y112 A142 I145 H146 L149 F175S104-I108 PolarHBondContact O-N 3.26Å; R105-I108 PolarHBondContact O-N 3.31Å; I108-S110 PolarHBondContact O-N 3.01Å; I108-F111 PolarHBondContact O-N 3.13Å; I108-Y112 WeakPolarHBondContact O-CB 3.47Å; I108-Y112 PolarHBondContact O-N 3.4Å; I108-A142 HydrophobicContact CG2-CB 4.32Å; I108-I145 HydrophobicContact CD1-CG2 3.99Å; I108-I145 HydrophobicContact CG1-CB 4.09Å; I108-I145 HydrophobicContact CG1-CG2 3.69Å; I108-H146 HydrophobicContact CD1-CB 3.97Å; I108-H146 HydrophobicContact CG2-CB 4.24Å; I108-L149 HydrophobicContact CD1-CD1 3.74Å; I108-F175 HydrophobicContact CG2-CE2 3.83Å
109K76.4Confident70.4Confident51 Ų5159.7 Ų59.722%0.22228%0.283CS..Hα-helixtrans-57-49.3174.4-73.1177.5-179-173.20111.3R105 N106 M107 F111 Y112 T113 F175R105-K109 WeakPolarHBondContact O-CG 3.43Å; R105-K109 PolarHBondContact O-N 3.18Å; R105-K109 VanDerWaalsContact O-N 3.1Å; N106-K109 WeakPolarHBondContact O-CB 3.43Å; N106-K109 PolarHBondContact O-N 3.01Å; M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 3.21Å; K109-F111 PolarHBondContact O-N 2.87Å; K109-Y112 PolarHBondContact O-N 3.03Å; K109-T113 WeakPolarHBondContact O-CB 3.12Å; K109-T113 PolarHBondContact O-N 3.14Å; K109-T113 PolarHBondContact O-OG1 3.21Å; K109-F175 HydrophobicContact CG-CE1 4.44Å; K109-F175 HydrophobicContact CG-CZ 3.8Å
110S75.7Confident71.8Confident45 Ų4549.4 Ų49.432%0.31525%0.245SC..Hα-helixtrans-56.9-47179-64.10000112.1N106 M107 I108 T113 S114N106-S110 PolarHBondContact O-N 2.99Å; N106-S110 PolarHBondContact O-OG 3.31Å; M107-S110 PolarHBondContact O-N 2.79Å; I108-S110 PolarHBondContact O-N 3.01Å; S110-T113 PolarHBondContact O-N 3.35Å; S110-S114 WeakPolarHBondContact O-CB 3.15Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.28Å
111F75.1Confident73.2Confident7 Ų741.8 Ų41.83%0.03121%0.209CC..Hα-helixtrans-63.3-44176.6-86.5-62.9000114.1Y93 M107 I108 K109 T113 S114 S115 Y137 A138 K141 A142 I145Y93-F111 AromaticContact CD1-CE1 3.73Å; Y93-F111 HydrophobicContact CD1-CE1 3.73Å; Y93-F111 HydrophobicContact CD1-CE2 4.16Å; Y93-F111 AromaticContact CD1-CZ 3.48Å; Y93-F111 HydrophobicContact CD1-CZ 3.48Å; Y93-F111 VanDerWaalsContact CD1-CZ 3.48Å; Y93-F111 HydrophobicContact CD2-CD2 4.09Å; Y93-F111 HydrophobicContact CD2-CE1 4.35Å; Y93-F111 AromaticContact CD2-CE2 3.71Å; Y93-F111 HydrophobicContact CD2-CE2 3.71Å; Y93-F111 AromaticContact CD2-CZ 3.89Å; Y93-F111 HydrophobicContact CD2-CZ 3.89Å; Y93-F111 AromaticContact CE1-CE1 3.68Å; Y93-F111 HydrophobicContact CE1-CE1 3.68Å; Y93-F111 AromaticContact CE1-CE2 3.57Å; Y93-F111 HydrophobicContact CE1-CE2 3.57Å; Y93-F111 AromaticContact CE1-CZ 2.95Å; Y93-F111 HydrophobicContact CE1-CZ 2.95Å; Y93-F111 AromaticContact CE2-CD2 3.65Å; Y93-F111 HydrophobicContact CE2-CD2 3.65Å; Y93-F111 HydrophobicContact CE2-CE1 4.24Å; Y93-F111 AromaticContact CE2-CE2 2.97Å; Y93-F111 HydrophobicContact CE2-CE2 2.97Å; Y93-F111 AromaticContact CE2-CZ 3.36Å; Y93-F111 HydrophobicContact CE2-CZ 3.36Å; Y93-F111 HydrophobicContact CG-CE1 4.12Å; Y93-F111 HydrophobicContact CG-CE2 4.25Å; Y93-F111 AromaticContact CG-CZ 3.95Å; Y93-F111 HydrophobicContact CG-CZ 3.95Å; Y93-F111 AromaticContact CZ-CE1 3.94Å; Y93-F111 AromaticContact CZ-CE2 2.91Å; Y93-F111 AromaticContact CZ-CZ 2.88Å; Y93-F111 WeakPolarHBondContact OH-CE2 3.11Å; Y93-F111 WeakPolarHBondContact OH-CZ 3.28Å; M107-F111 WeakPolarHBondContact O-CD2 3.23Å; M107-F111 PolarHBondContact O-N 3.21Å; I108-F111 PolarHBondContact O-N 3.13Å; K109-F111 PolarHBondContact O-N 2.87Å; F111-T113 VanDerWaalsContact C-N 3.31Å; F111-S114 PolarHBondContact O-N 2.76Å; F111-S115 PolarHBondContact O-N 3.32Å; F111-Y137 HydrophobicContact CE1-CE1 4.45Å; F111-A138 HydrophobicContact CD1-CB 4.3Å; F111-K141 HydrophobicContact CE1-CB 4.11Å; F111-K141 HydrophobicContact CE2-CB 3.97Å; F111-K141 HydrophobicContact CZ-CB 3.67Å; F111-K141 HydrophobicContact CZ-CG 4.06Å; F111-A142 HydrophobicContact CB-CB 3.84Å; F111-I145 HydrophobicContact CD2-CD1 4.2Å; F111-I145 HydrophobicContact CE2-CD1 3.58Å
112Y80.2Confident74.2Confident50 Ų5041.4 Ų41.420%0.19620%0.198CC..Hα-helixtrans-61.8-46.1178.9-174.6-108.8000109.9H12 I108 K109 S114 S115 L116 F175H12-Y112 HydrophobicContact CB-CE1 4.27Å; H12-Y112 WeakPolarHBondContact CB-OH 3.33Å; H12-Y112 AromaticContact ND1-CE1 3.95Å; H12-Y112 AromaticContact ND1-CZ 3.96Å; H12-Y112 PolarHBondContact ND1-OH 2.98Å; H12-Y112 VanDerWaalsContact ND1-OH 3.15Å; I108-Y112 WeakPolarHBondContact O-CB 3.47Å; I108-Y112 PolarHBondContact O-N 3.4Å; K109-Y112 PolarHBondContact O-N 3.03Å; Y112-S114 PolarHBondContact O-N 3Å; Y112-S115 PolarHBondContact O-N 2.83Å; Y112-S115 VanDerWaalsContact O-N 3.15Å; Y112-S115 PolarHBondContact O-OG 3.15Å; Y112-L116 HydrophobicContact CD1-CD1 3.98Å; Y112-L116 HydrophobicContact CE1-CD1 3.66Å; Y112-L116 HydrophobicContact CE1-CG 4.29Å; Y112-L116 WeakPolarHBondContact O-CG 2.98Å; Y112-L116 PolarHBondContact O-N 3.37Å; Y112-L116 VanDerWaalsContact O-N 3.09Å; Y112-F175 HydrophobicContact CD1-CD1 4.44Å; Y112-F175 HydrophobicContact CD1-CE1 4.2Å; Y112-F175 HydrophobicContact CE1-CD1 4.44Å
113T76.9Confident75Confident17 Ų1732.8 Ų32.810%0.10417%0.168CC..Hα-helixtrans-59.2-44.9173.4-60.90000112T16 K109 S110 F111 S115 L116 L117T16-T113 HydrophobicContact CG2-CG2 3.76Å; K109-T113 WeakPolarHBondContact O-CB 3.12Å; K109-T113 PolarHBondContact O-N 3.14Å; K109-T113 PolarHBondContact O-OG1 3.21Å; S110-T113 PolarHBondContact O-N 3.35Å; F111-T113 VanDerWaalsContact C-N 3.31Å; T113-S115 VanDerWaalsContact C-N 3.27Å; T113-S115 PolarHBondContact O-N 2.94Å; T113-L116 PolarHBondContact O-N 3.32Å; T113-L116 VanDerWaalsContact O-N 3.13Å; T113-L117 HydrophobicContact CG2-CD1 4.27Å; T113-L117 HydrophobicContact CG2-CG 4.39Å; T113-L117 WeakPolarHBondContact O-CG 3.48Å; T113-L117 PolarHBondContact O-N 3.48Å
114S76.6Confident75.2Confident10 Ų1032.9 Ų32.97%0.0717%0.169CC..Hα-helixtrans-58.2-39175.2-63.10000112.3S110 F111 Y112 L117 M118S110-S114 WeakPolarHBondContact O-CB 3.15Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.28Å; F111-S114 PolarHBondContact O-N 2.76Å; Y112-S114 PolarHBondContact O-N 3Å; S114-L117 PolarHBondContact O-N 2.81Å; S114-M118 WeakPolarHBondContact O-CG 3.25Å; S114-M118 PolarHBondContact O-N 3.45Å
115S80Confident75.2Confident0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-66.6-37.5176.478.50000113F111 Y112 T113 M118 D119 R139F111-S115 PolarHBondContact O-N 3.32Å; Y112-S115 PolarHBondContact O-N 2.83Å; Y112-S115 VanDerWaalsContact O-N 3.15Å; Y112-S115 PolarHBondContact O-OG 3.15Å; T113-S115 VanDerWaalsContact C-N 3.27Å; T113-S115 PolarHBondContact O-N 2.94Å; S115-M118 WeakPolarHBondContact O-CB 3.39Å; S115-M118 PolarHBondContact O-N 3.33Å; S115-D119 PolarHBondContact O-N 3.3Å; S115-R139 VanDerWaalsContact CB-CG 3.47Å
116L79.6Confident74.9Confident6 Ų633.6 Ų33.63%0.03119%0.185CC..Hα-helixtrans-68.6-38175.1-64.7172.3000111.3H12 H13 T16 Y112 T113 M118 D119 V120H12-L116 HydrophobicContact CB-CD1 4.19Å; H12-L116 HydrophobicContact CB-CD2 4.23Å; H13-L116 WeakPolarHBondContact NE2-CD2 3.49Å; T16-L116 WeakPolarHBondContact OG1-CD1 3.11Å; Y112-L116 HydrophobicContact CD1-CD1 3.98Å; Y112-L116 HydrophobicContact CE1-CD1 3.66Å; Y112-L116 HydrophobicContact CE1-CG 4.29Å; Y112-L116 WeakPolarHBondContact O-CG 2.98Å; Y112-L116 PolarHBondContact O-N 3.37Å; Y112-L116 VanDerWaalsContact O-N 3.09Å; T113-L116 PolarHBondContact O-N 3.32Å; T113-L116 VanDerWaalsContact O-N 3.13Å; L116-M118 VanDerWaalsContact C-N 3.26Å; L116-M118 PolarHBondContact O-N 2.84Å; L116-D119 WeakPolarHBondContact O-CB 3.15Å; L116-D119 PolarHBondContact O-N 2.94Å; L116-D119 VanDerWaalsContact O-N 3.12Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.25Å
117L77.4Confident74.5Confident5 Ų530.5 Ų30.53%0.02617%0.168CC..Hα-helixtrans-63.7-34.3174.4-67.4176.9000111.6V27 T86 T113 S114 D119 V120 L121V27-L117 HydrophobicContact CG1-CD2 3.48Å; V27-L117 VanDerWaalsContact CG1-CD2 3.48Å; T86-L117 HydrophobicContact CG2-CB 4.43Å; T113-L117 HydrophobicContact CG2-CD1 4.27Å; T113-L117 HydrophobicContact CG2-CG 4.39Å; T113-L117 WeakPolarHBondContact O-CG 3.48Å; T113-L117 PolarHBondContact O-N 3.48Å; S114-L117 PolarHBondContact O-N 2.81Å; L117-D119 VanDerWaalsContact C-N 3.34Å; L117-V120 PolarHBondContact O-N 3.21Å; L117-L121 PolarHBondContact O-N 3.41Å
118M77.1Confident74.4Confident4 Ų432 Ų322%0.0218%0.181CC..Hα-helixtrans-65.4-34.1171.6-72.6-70.2128.700112.9T86 S114 S115 L116 L121 L127 N131 R135T86-M118 HydrophobicContact CG2-CE 3.15Å; T86-M118 HydrophobicContact CG2-CG 4.08Å; T86-M118 HydrophobicContact CG2-SD 4.43Å; S114-M118 WeakPolarHBondContact O-CG 3.25Å; S114-M118 PolarHBondContact O-N 3.45Å; S115-M118 WeakPolarHBondContact O-CB 3.39Å; S115-M118 PolarHBondContact O-N 3.33Å; L116-M118 VanDerWaalsContact C-N 3.26Å; L116-M118 PolarHBondContact O-N 2.84Å; M118-L121 HydrophobicContact CE-CD1 3.31Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 3.32Å; M118-L121 HydrophobicContact SD-CD1 3.74Å; M118-L127 WeakPolarHBondContact O-CD2 3.21Å; M118-N131 HydrophobicContact SD-CB 3.99Å; M118-R135 HydrophobicContact CB-CB 3.81Å; M118-R135 HydrophobicContact CB-CG 3.97Å; M118-R135 HydrophobicContact CG-CB 4.28Å
119D79.6Confident74.2Confident5 Ų538.3 Ų38.33%0.02722%0.215CC..Hα-helixtrans-69-39.8171.7-67.2-47.2000111.7Y34 S115 L116 L117 L121 S122 R135 R139Y34-D119 WeakPolarHBondContact CD2-O 3.39Å; Y34-D119 HydrophobicContact CE1-CB 4.44Å; Y34-D119 HydrophobicContact CE2-CB 4.27Å; Y34-D119 VanDerWaalsContact CE2-O 3.29Å; Y34-D119 WeakPolarHBondContact CE2-O 3.46Å; S115-D119 PolarHBondContact O-N 3.3Å; L116-D119 WeakPolarHBondContact O-CB 3.15Å; L116-D119 PolarHBondContact O-N 2.94Å; L116-D119 VanDerWaalsContact O-N 3.12Å; L117-D119 VanDerWaalsContact C-N 3.34Å; D119-L121 PolarHBondContact O-N 2.75Å; D119-S122 VanDerWaalsContact O-CB 3.23Å; D119-S122 WeakPolarHBondContact O-CB 3.34Å; D119-S122 PolarHBondContact O-N 3.32Å; D119-S122 PolarHBondContact O-OG 3.01Å; D119-R135 WeakPolarHBondContact OD1-CD 3.46Å; D119-R135 IonicContact OD1-CZ 3.25Å; D119-R135 IonicContact OD1-NE 2.94Å; D119-R135 IonicContact OD1-NH1 3.76Å; D119-R135 PolarHBondContact OD1-NH1 3.37Å; D119-R139 VanDerWaalsContact CG-NH2 3.29Å; D119-R139 IonicContact OD1-NH2 2.62Å; D119-R139 PolarHBondContact OD1-NH2 2.77Å; D119-R139 IonicContact OD2-CZ 3.6Å; D119-R139 IonicContact OD2-NH2 3.69Å; D119-R139 PolarHBondContact OD2-NH2 3.25Å
120V76.6Confident73.8Confident1 Ų141.8 Ų41.81%0.00623%0.232CC..Hα-helixtrans-62-32.1175.4174.60000111.1Y30 C31 Y34 L116 L117 S122 V123Y30-V120 VanDerWaalsContact CB-CG1 3.5Å; C31-V120 HydrophobicContact CB-CG2 4.46Å; Y34-V120 HydrophobicContact CD1-CG2 4.49Å; Y34-V120 HydrophobicContact CG-CG2 4.18Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.25Å; L117-V120 PolarHBondContact O-N 3.21Å; V120-S122 PolarHBondContact O-N 3.04Å; V120-S122 VanDerWaalsContact O-N 3.17Å; V120-V123 WeakPolarHBondContact O-CG2 3.39Å; V120-V123 PolarHBondContact O-N 2.79Å; V120-V123 VanDerWaalsContact O-N 3.12Å
121L73.2Confident73.5Confident15 Ų1540.8 Ų40.88%0.07922%0.223CC..Hα-helixtrans-60.9-22.6174.2-77.6170.1000113.2I82 C83 L117 M118 D119 V123 F124 L127I82-L121 HydrophobicContact CB-CD2 3.97Å; I82-L121 HydrophobicContact CG2-CD1 4.48Å; I82-L121 HydrophobicContact CG2-CD2 3.64Å; I82-L121 HydrophobicContact CG2-CG 3.86Å; C83-L121 HydrophobicContact CB-CD1 4.47Å; C83-L121 HydrophobicContact CB-CD2 4.46Å; L117-L121 PolarHBondContact O-N 3.41Å; M118-L121 HydrophobicContact CE-CD1 3.31Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 3.32Å; M118-L121 HydrophobicContact SD-CD1 3.74Å; D119-L121 PolarHBondContact O-N 2.75Å; L121-V123 PolarHBondContact O-N 2.98Å; L121-F124 HydrophobicContact CD2-CD2 4.18Å; L121-F124 HydrophobicContact CD2-CE2 4.36Å; L121-F124 WeakPolarHBondContact O-CB 3.42Å; L121-F124 PolarHBondContact O-N 3.17Å; L121-L127 HydrophobicContact CB-CD2 3.82Å
122S73.9Confident73.6Confident49 Ų4942.7 Ų42.734%0.34323%0.233SC..G310 helixtrans-67.4-16.7176.493.10000113.5D119 V120 F124D119-S122 VanDerWaalsContact O-CB 3.23Å; D119-S122 WeakPolarHBondContact O-CB 3.34Å; D119-S122 PolarHBondContact O-N 3.32Å; D119-S122 PolarHBondContact O-OG 3.01Å; V120-S122 PolarHBondContact O-N 3.04Å; V120-S122 VanDerWaalsContact O-N 3.17Å; S122-F124 PolarHBondContact O-N 3.28Å
123V72.4Confident73.2Confident28 Ų2844.1 Ų44.117%0.1724%0.242CC..G310 helixtrans-68.3-16.4175.6-58.30000112.6Y30 Y34 V120 L121Y30-V123 HydrophobicContact CD1-CG2 4.24Å; Y34-V123 HydrophobicContact CD2-CG1 3.63Å; Y34-V123 HydrophobicContact CG-CG1 4.19Å; V120-V123 WeakPolarHBondContact O-CG2 3.39Å; V120-V123 PolarHBondContact O-N 2.79Å; V120-V123 VanDerWaalsContact O-N 3.12Å; L121-V123 PolarHBondContact O-N 2.98Å
124F67.9Low73Confident35 Ų3544.6 Ų44.615%0.15424%0.243CC..G310 helixtrans-97.4-7.8-173.8-70.3-69.7000113.8Y30 K79 I82 L121 S122Y30-F124 AromaticContact CD1-CE1 3.94Å; Y30-F124 HydrophobicContact CD1-CE1 3.94Å; Y30-F124 AromaticContact CD1-CE2 3.88Å; Y30-F124 HydrophobicContact CD1-CE2 3.88Å; Y30-F124 AromaticContact CD1-CZ 3.32Å; Y30-F124 HydrophobicContact CD1-CZ 3.32Å; Y30-F124 HydrophobicContact CD2-CZ 4.11Å; Y30-F124 HydrophobicContact CE1-CD1 4.39Å; Y30-F124 AromaticContact CE1-CE1 3.25Å; Y30-F124 HydrophobicContact CE1-CE1 3.25Å; Y30-F124 HydrophobicContact CE1-CE2 4.03Å; Y30-F124 AromaticContact CE1-CZ 3.03Å; Y30-F124 HydrophobicContact CE1-CZ 3.03Å; Y30-F124 AromaticContact CE2-CZ 3.85Å; Y30-F124 HydrophobicContact CE2-CZ 3.85Å; Y30-F124 HydrophobicContact CG-CE2 4.26Å; Y30-F124 AromaticContact CG-CZ 3.85Å; Y30-F124 HydrophobicContact CG-CZ 3.85Å; Y30-F124 AromaticContact CZ-CE1 3.57Å; Y30-F124 AromaticContact CZ-CZ 3.3Å; K79-F124 HydrophobicContact CD-CB 3.62Å; K79-F124 HydrophobicContact CD-CD1 3.91Å; K79-F124 HydrophobicContact CD-CG 3.9Å; K79-F124 VanDerWaalsContact CE-CB 3.42Å; K79-F124 VanDerWaalsContact CE-CD1 3.46Å; K79-F124 HydrophobicContact CG-CB 3.59Å; K79-F124 HydrophobicContact CG-CD1 3.27Å; K79-F124 HydrophobicContact CG-CD2 3.84Å; K79-F124 HydrophobicContact CG-CE1 3.67Å; K79-F124 HydrophobicContact CG-CE2 4.24Å; K79-F124 HydrophobicContact CG-CG 3.31Å; K79-F124 HydrophobicContact CG-CZ 4.11Å; K79-F124 PolarHBondContact NZ-O 3.22Å; I82-F124 HydrophobicContact CD1-CE2 3.6Å; I82-F124 HydrophobicContact CD1-CZ 3.66Å; L121-F124 HydrophobicContact CD2-CD2 4.18Å; L121-F124 HydrophobicContact CD2-CE2 4.36Å; L121-F124 WeakPolarHBondContact O-CB 3.42Å; L121-F124 PolarHBondContact O-N 3.17Å; S122-F124 PolarHBondContact O-N 3.28Å
125G68.3Low73.1Confident45 Ų4547 Ų4746%0.46425%0.25SS..SBendtrans140.9-168.5-17700000112.3L127G125-L127 PolarHBondContact O-N 3.14Å
126E66.3Low73Confident200 Ų20052 Ų5294%0.93527%0.272SS*.PPolyproline II helixtrans-64.4131.1174.9-66.5-178.8167.300110.5
127L64.6Low72.9Confident36 Ų3652.6 Ų52.619%0.18827%0.274CS..PPolyproline II helixtrans-73.3136.4175.6-74.1146.1000108.6M118 L121 G125 N131 I132M118-L127 WeakPolarHBondContact O-CD2 3.21Å; L121-L127 HydrophobicContact CB-CD2 3.82Å; G125-L127 PolarHBondContact O-N 3.14Å; L127-N131 HydrophobicContact CB-CB 4.44Å; L127-N131 HydrophobicContact CD2-CB 3.94Å; L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.82Å
128S69.9Low72.9Confident56 Ų5652.7 Ų52.739%0.39228%0.275SS..PPolyproline II helixtrans-61.5151.7169.160.60000110.9E130 N131 I132S128-E130 PolarHBondContact O-N 2.72Å; S128-E130 VanDerWaalsContact O-N 3.17Å; S128-N131 WeakPolarHBondContact O-CA 3.14Å; S128-N131 WeakPolarHBondContact O-CB 3.41Å; S128-N131 PolarHBondContact O-N 3.23Å; S128-N131 VanDerWaalsContact OG-CG 3.28Å; S128-N131 PolarHBondContact OG-N 3.08Å; S128-N131 PolarHBondContact OG-ND2 2.66Å; S128-N131 VanDerWaalsContact OG-ND2 3.09Å; S128-I132 PolarHBondContact O-N 3.38Å
129D71.2Confident73.1Confident139 Ų13957.8 Ų57.874%0.74329%0.294SS*.Hα-helixtrans-55.4-35.5178.1-61.6-54.4000112.1I132 Q133D129-I132 PolarHBondContact O-N 2.91Å; D129-Q133 WeakPolarHBondContact O-CB 3.44Å; D129-Q133 PolarHBondContact O-N 3.09Å
130E68.3Low73.2Confident124 Ų12460.4 Ų60.458%0.57930%0.304SS*.Hα-helixtrans-61.1-44.5173.3-176179-17500112.3S128 I132 Q133 H134S128-E130 PolarHBondContact O-N 2.72Å; S128-E130 VanDerWaalsContact O-N 3.17Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 3.17Å; E130-Q133 PolarHBondContact O-N 2.68Å; E130-H134 WeakPolarHBondContact CG-CE1 3.45Å; E130-H134 WeakPolarHBondContact O-CB 3.22Å; E130-H134 PolarHBondContact O-CD2 2.65Å; E130-H134 VanDerWaalsContact O-CD2 3.23Å; E130-H134 PolarHBondContact O-N 3.42Å; E130-H134 IonicContact OE1-CE1 2.77Å; E130-H134 PolarHBondContact OE1-CE1 3.24Å; E130-H134 VanDerWaalsContact OE1-CE1 3.23Å; E130-H134 IonicContact OE1-NE2 2.95Å
131N69Low73.1Confident24 Ų2460.5 Ų60.513%0.12830%0.304CS..Hα-helixtrans-67.9-35.9177.9-75-25.9000112M118 L127 S128 H134 R135M118-N131 HydrophobicContact SD-CB 3.99Å; L127-N131 HydrophobicContact CB-CB 4.44Å; L127-N131 HydrophobicContact CD2-CB 3.94Å; S128-N131 WeakPolarHBondContact O-CA 3.14Å; S128-N131 WeakPolarHBondContact O-CB 3.41Å; S128-N131 PolarHBondContact O-N 3.23Å; S128-N131 VanDerWaalsContact OG-CG 3.28Å; S128-N131 PolarHBondContact OG-N 3.08Å; S128-N131 PolarHBondContact OG-ND2 2.66Å; S128-N131 VanDerWaalsContact OG-ND2 3.09Å; N131-H134 PolarHBondContact O-N 2.85Å; N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 2.87Å
132I75.9Confident73.3Confident48 Ų4860 Ų6025%0.24630%0.302CS..Hα-helixtrans-62.8-45.5173.9-63.7172.2000109.9L127 S128 D129 E130 R135 K136L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.82Å; S128-I132 PolarHBondContact O-N 3.38Å; D129-I132 PolarHBondContact O-N 2.91Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 3.17Å; I132-R135 WeakPolarHBondContact O-CB 3.45Å; I132-R135 PolarHBondContact O-N 2.73Å; I132-K136 WeakPolarHBondContact O-CG 3.33Å; I132-K136 PolarHBondContact O-N 2.87Å
133Q72.9Confident73.8Confident79 Ų7960.8 Ų60.837%0.36931%0.305SS..Hα-helixtrans-65.2-40.2177.6-168.468.8-20.900111.8D129 E130 R135 K136 Y137 M162D129-Q133 WeakPolarHBondContact O-CB 3.44Å; D129-Q133 PolarHBondContact O-N 3.09Å; E130-Q133 PolarHBondContact O-N 2.68Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 2.74Å; Q133-K136 PolarHBondContact O-N 3.03Å; Q133-Y137 WeakPolarHBondContact O-CB 3.47Å; Q133-Y137 PolarHBondContact O-N 3.26Å; Q133-M162 HydrophobicContact CG-CE 4.01Å
134H72.7Confident74.1Confident27 Ų2762.4 Ų62.413%0.12531%0.308CS..Hα-helixtrans-63.9-38.6175.6-68.3173.5000112.2R90 E130 N131 A138R90-H134 PolarHBondContact NH1-CD2 3.14Å; R90-H134 PolarHBondContact NH1-CE1 3.19Å; R90-H134 PolarHBondContact NH1-NE2 3.29Å; R90-H134 PolarHBondContact NH2-CD2 2.98Å; E130-H134 WeakPolarHBondContact CG-CE1 3.45Å; E130-H134 WeakPolarHBondContact O-CB 3.22Å; E130-H134 PolarHBondContact O-CD2 2.65Å; E130-H134 VanDerWaalsContact O-CD2 3.23Å; E130-H134 PolarHBondContact O-N 3.42Å; E130-H134 IonicContact OE1-CE1 2.77Å; E130-H134 PolarHBondContact OE1-CE1 3.24Å; E130-H134 VanDerWaalsContact OE1-CE1 3.23Å; E130-H134 IonicContact OE1-NE2 2.95Å; N131-H134 PolarHBondContact O-N 2.85Å; H134-A138 VanDerWaalsContact O-CB 3.25Å; H134-A138 WeakPolarHBondContact O-CB 3.19Å; H134-A138 PolarHBondContact O-N 3.46Å
135R78.2Confident74.5Confident62 Ų6260.7 Ų60.723%0.23430%0.301CS..Hα-helixtrans-61.8-50.3173.4-174.5-176.765.1-176.1-2.4111.4M118 D119 N131 I132 Q133 Y137 A138 R139M118-R135 HydrophobicContact CB-CB 3.81Å; M118-R135 HydrophobicContact CB-CG 3.97Å; M118-R135 HydrophobicContact CG-CB 4.28Å; D119-R135 WeakPolarHBondContact OD1-CD 3.46Å; D119-R135 IonicContact OD1-CZ 3.25Å; D119-R135 IonicContact OD1-NE 2.94Å; D119-R135 IonicContact OD1-NH1 3.76Å; D119-R135 PolarHBondContact OD1-NH1 3.37Å; N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 2.87Å; I132-R135 WeakPolarHBondContact O-CB 3.45Å; I132-R135 PolarHBondContact O-N 2.73Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 2.74Å; R135-Y137 VanDerWaalsContact C-N 3.35Å; R135-Y137 PolarHBondContact O-N 3.34Å; R135-A138 PolarHBondContact O-N 3.43Å; R135-R139 PolarHBondContact O-N 2.97Å; R135-R139 VanDerWaalsContact O-N 3.1Å
136K78.7Confident75.1Confident103 Ų10361.2 Ų61.245%0.44829%0.291SS..Hα-helixtrans-57.4-49.7178.5-73.6-176.2177.1-1720110.6I132 Q133 A138 R139 W140 M162I132-K136 WeakPolarHBondContact O-CG 3.33Å; I132-K136 PolarHBondContact O-N 2.87Å; Q133-K136 PolarHBondContact O-N 3.03Å; K136-A138 PolarHBondContact O-N 2.99Å; K136-R139 PolarHBondContact O-N 2.95Å; K136-W140 WeakPolarHBondContact O-CB 3.35Å; K136-W140 PolarHBondContact O-N 3.38Å; K136-M162 HydrophobicContact CB-CE 4.18Å; K136-M162 HydrophobicContact CB-SD 4Å
137Y77Confident75.9Confident20 Ų2055.3 Ų55.38%0.07827%0.266CS..Hα-helixtrans-58.1-46.9178.3-174.4-105.2000112.8F111 Q133 R135 W140 K141 M162F111-Y137 HydrophobicContact CE1-CE1 4.45Å; Q133-Y137 WeakPolarHBondContact O-CB 3.47Å; Q133-Y137 PolarHBondContact O-N 3.26Å; R135-Y137 VanDerWaalsContact C-N 3.35Å; R135-Y137 PolarHBondContact O-N 3.34Å; Y137-W140 HydrophobicContact CE2-CE3 4.48Å; Y137-W140 HydrophobicContact CE2-CZ3 4.38Å; Y137-W140 PolarHBondContact O-N 2.88Å; Y137-K141 HydrophobicContact CD1-CG 4.49Å; Y137-K141 HydrophobicContact CE1-CG 3.9Å; Y137-K141 HydrophobicContact CE2-CG 3.97Å; Y137-K141 WeakPolarHBondContact O-CB 3.47Å; Y137-K141 PolarHBondContact O-N 2.77Å; Y137-K141 WeakPolarHBondContact OH-CE 3.11Å; Y137-M162 VanDerWaalsContact CB-CE 3.5Å; Y137-M162 HydrophobicContact CD2-CE 4.03Å; Y137-M162 HydrophobicContact CG-CE 4.26Å
138A76.6Confident76.5Confident7 Ų753.9 Ų53.96%0.05826%0.259CS..Hα-helixtrans-64.8-41.5-17700000112F111 H134 R135 K136 A142F111-A138 HydrophobicContact CD1-CB 4.3Å; H134-A138 VanDerWaalsContact O-CB 3.25Å; H134-A138 WeakPolarHBondContact O-CB 3.19Å; H134-A138 PolarHBondContact O-N 3.46Å; R135-A138 PolarHBondContact O-N 3.43Å; K136-A138 PolarHBondContact O-N 2.99Å; A138-A142 WeakPolarHBondContact O-CB 3.13Å; A138-A142 PolarHBondContact O-N 2.65Å
139R80.9Confident76.9Confident111 Ų11154.7 Ų54.742%0.41926%0.259SS..Hα-helixtrans-65-46.5175.7-71-173.8177.5175.9-2.1111.8S115 D119 R135 K136 A142 T143S115-R139 VanDerWaalsContact CB-CG 3.47Å; D119-R139 VanDerWaalsContact CG-NH2 3.29Å; D119-R139 IonicContact OD1-NH2 2.62Å; D119-R139 PolarHBondContact OD1-NH2 2.77Å; D119-R139 IonicContact OD2-CZ 3.6Å; D119-R139 IonicContact OD2-NH2 3.69Å; D119-R139 PolarHBondContact OD2-NH2 3.25Å; R135-R139 PolarHBondContact O-N 2.97Å; R135-R139 VanDerWaalsContact O-N 3.1Å; K136-R139 PolarHBondContact O-N 2.95Å; R139-A142 PolarHBondContact O-N 3.42Å; R139-T143 PolarHBondContact O-N 3.22Å; R139-T143 PolarHBondContact O-OG1 3.39Å
140W82.3Confident77.3Confident60 Ų6055.7 Ų55.723%0.22726%0.257CS..Hα-helixtrans-61.9-50.5179.2176.385.1000111.1K136 Y137 A142 T143 Y144 I160K136-W140 WeakPolarHBondContact O-CB 3.35Å; K136-W140 PolarHBondContact O-N 3.38Å; Y137-W140 HydrophobicContact CE2-CE3 4.48Å; Y137-W140 HydrophobicContact CE2-CZ3 4.38Å; Y137-W140 PolarHBondContact O-N 2.88Å; W140-A142 PolarHBondContact O-N 3.22Å; W140-T143 PolarHBondContact O-N 3.46Å; W140-Y144 HydrophobicContact CH2-CG 4.37Å; W140-Y144 HydrophobicContact CZ2-CD2 4.31Å; W140-Y144 HydrophobicContact CZ2-CG 4.35Å; W140-Y144 WeakPolarHBondContact O-CB 3.18Å; W140-Y144 PolarHBondContact O-N 2.82Å; W140-I160 HydrophobicContact CH2-CB 3.57Å; W140-I160 HydrophobicContact CH2-CD1 3.66Å; W140-I160 HydrophobicContact CH2-CG1 4.18Å; W140-I160 HydrophobicContact CH2-CG2 3.5Å; W140-I160 HydrophobicContact CZ2-CG2 4.17Å; W140-I160 HydrophobicContact CZ3-CB 3.91Å; W140-I160 HydrophobicContact CZ3-CD1 4.35Å; W140-I160 HydrophobicContact CZ3-CG2 4.23Å
141K74.4Confident77.8Confident2 Ų255.2 Ų55.21%0.00926%0.258CS..Hα-helixtrans-62-39.4178.5-95.3-61.3-169.3-174.50113.2F111 Y137 T143 Y144 I145 Q156F111-K141 HydrophobicContact CE1-CB 4.11Å; F111-K141 HydrophobicContact CE2-CB 3.97Å; F111-K141 HydrophobicContact CZ-CB 3.67Å; F111-K141 HydrophobicContact CZ-CG 4.06Å; Y137-K141 HydrophobicContact CD1-CG 4.49Å; Y137-K141 HydrophobicContact CE1-CG 3.9Å; Y137-K141 HydrophobicContact CE2-CG 3.97Å; Y137-K141 WeakPolarHBondContact O-CB 3.47Å; Y137-K141 PolarHBondContact O-N 2.77Å; Y137-K141 WeakPolarHBondContact OH-CE 3.11Å; K141-T143 VanDerWaalsContact C-N 3.3Å; K141-T143 PolarHBondContact O-N 3.18Å; K141-Y144 HydrophobicContact CD-CD1 4.09Å; K141-Y144 PolarHBondContact O-N 3.38Å; K141-I145 HydrophobicContact CD-CD1 4.34Å; K141-I145 HydrophobicContact CD-CG1 4.49Å; K141-I145 WeakPolarHBondContact O-CB 3.45Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.3Å; K141-I145 PolarHBondContact O-N 3.03Å; K141-Q156 PolarHBondContact NZ-O 2.63Å
142A78.7Confident77.9Confident4 Ų457.5 Ų57.53%0.03329%0.287CS..Hα-helixtrans-58.8-46.1176.900000111.1I108 F111 A138 R139 W140 H146I108-A142 HydrophobicContact CG2-CB 4.32Å; F111-A142 HydrophobicContact CB-CB 3.84Å; A138-A142 WeakPolarHBondContact O-CB 3.13Å; A138-A142 PolarHBondContact O-N 2.65Å; R139-A142 PolarHBondContact O-N 3.42Å; W140-A142 PolarHBondContact O-N 3.22Å; A142-H146 VanDerWaalsContact O-CB 3.26Å; A142-H146 WeakPolarHBondContact O-CB 3.29Å; A142-H146 PolarHBondContact O-N 2.72Å
143T82.6Confident77.7Confident66 Ų6661 Ų6141%0.40530%0.302SS..Hα-helixtrans-68.6-45.8179.8-52.10000111.5R139 W140 K141 I145 H146 N147R139-T143 PolarHBondContact O-N 3.22Å; R139-T143 PolarHBondContact O-OG1 3.39Å; W140-T143 PolarHBondContact O-N 3.46Å; K141-T143 VanDerWaalsContact C-N 3.3Å; K141-T143 PolarHBondContact O-N 3.18Å; T143-I145 PolarHBondContact O-N 3.27Å; T143-H146 WeakPolarHBondContact O-CB 3.28Å; T143-H146 PolarHBondContact O-N 3.43Å; T143-N147 WeakPolarHBondContact O-CB 3.22Å; T143-N147 VanDerWaalsContact O-CG 3.29Å; T143-N147 PolarHBondContact O-N 3.18Å
144Y80.2Confident77.2Confident62 Ų6263.5 Ų63.524%0.24332%0.323CS..Hα-helixtrans-56.4-52.2177.1173.4-104000111.4W140 K141 H146 N147 C148 P155 Q156 I160W140-Y144 HydrophobicContact CH2-CG 4.37Å; W140-Y144 HydrophobicContact CZ2-CD2 4.31Å; W140-Y144 HydrophobicContact CZ2-CG 4.35Å; W140-Y144 WeakPolarHBondContact O-CB 3.18Å; W140-Y144 PolarHBondContact O-N 2.82Å; K141-Y144 HydrophobicContact CD-CD1 4.09Å; K141-Y144 PolarHBondContact O-N 3.38Å; Y144-H146 VanDerWaalsContact C-N 3.32Å; Y144-H146 PolarHBondContact O-N 2.71Å; Y144-N147 PolarHBondContact O-N 2.9Å; Y144-C148 WeakPolarHBondContact O-CB 3.34Å; Y144-C148 PolarHBondContact O-N 3.32Å; Y144-C148 PolarHBondContact O-SG 3.14Å; Y144-P155 HydrophobicContact CD1-CB 4.3Å; Y144-P155 HydrophobicContact CE1-CB 3.66Å; Y144-Q156 PolarHBondContact OH-N 2.83Å; Y144-I160 HydrophobicContact CE1-CD1 4.15Å
145I76.3Confident76.8Confident0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-65-38.9179.7-63.2167.3000110.6Y93 F103 I108 F111 K141 T143 L149 P155Y93-I145 WeakPolarHBondContact OH-CD1 3.39Å; F103-I145 HydrophobicContact CB-CG2 4.17Å; F103-I145 HydrophobicContact CD1-CD1 4.18Å; F103-I145 HydrophobicContact CD1-CG1 4.35Å; F103-I145 HydrophobicContact CD1-CG2 3.98Å; F103-I145 HydrophobicContact CE1-CD1 4.32Å; F103-I145 HydrophobicContact CE1-CG1 4.49Å; F103-I145 HydrophobicContact CG-CG2 4.37Å; I108-I145 HydrophobicContact CD1-CG2 3.99Å; I108-I145 HydrophobicContact CG1-CB 4.09Å; I108-I145 HydrophobicContact CG1-CG2 3.69Å; F111-I145 HydrophobicContact CD2-CD1 4.2Å; F111-I145 HydrophobicContact CE2-CD1 3.58Å; K141-I145 HydrophobicContact CD-CD1 4.34Å; K141-I145 HydrophobicContact CD-CG1 4.49Å; K141-I145 WeakPolarHBondContact O-CB 3.45Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.3Å; K141-I145 PolarHBondContact O-N 3.03Å; T143-I145 PolarHBondContact O-N 3.27Å; I145-L149 HydrophobicContact CG2-CD1 4.17Å; I145-L149 HydrophobicContact CG2-CG 4.26Å; I145-L149 WeakPolarHBondContact O-CB 3.27Å; I145-L149 VanDerWaalsContact O-CG 3.27Å; I145-L149 WeakPolarHBondContact O-CG 3.5Å; I145-L149 PolarHBondContact O-N 3Å; I145-P155 HydrophobicContact CG1-CB 4.27Å; I145-P155 HydrophobicContact CG1-CG 4.39Å; I145-P155 HydrophobicContact CG2-CG 4.15Å
146H81.3Confident76Confident55 Ų5566.5 Ų66.526%0.25534%0.34SS..Hα-helixtrans-60.9-45176-179.1-93.8000112.2I108 A142 T143 Y144 L149 K150I108-H146 HydrophobicContact CD1-CB 3.97Å; I108-H146 HydrophobicContact CG2-CB 4.24Å; A142-H146 VanDerWaalsContact O-CB 3.26Å; A142-H146 WeakPolarHBondContact O-CB 3.29Å; A142-H146 PolarHBondContact O-N 2.72Å; T143-H146 WeakPolarHBondContact O-CB 3.28Å; T143-H146 PolarHBondContact O-N 3.43Å; Y144-H146 VanDerWaalsContact C-N 3.32Å; Y144-H146 PolarHBondContact O-N 2.71Å; H146-L149 PolarHBondContact O-N 2.84Å; H146-K150 VanDerWaalsContact O-CB 3.31Å; H146-K150 WeakPolarHBondContact O-CB 3.22Å; H146-K150 PolarHBondContact O-N 3.38Å
147N82.2Confident74.8Confident76 Ų7664.8 Ų64.841%0.40634%0.342SS..Hα-helixtrans-69-42.7179.5-69.9-8.8000111.7T143 Y144 L149 K150 N151T143-N147 WeakPolarHBondContact O-CB 3.22Å; T143-N147 VanDerWaalsContact O-CG 3.29Å; T143-N147 PolarHBondContact O-N 3.18Å; Y144-N147 PolarHBondContact O-N 2.9Å; N147-L149 PolarHBondContact O-N 3.43Å; N147-K150 PolarHBondContact O-N 3.01Å; N147-N151 WeakPolarHBondContact O-CB 3.48Å; N147-N151 VanDerWaalsContact O-CG 3.25Å; N147-N151 PolarHBondContact O-N 3.23Å
148C78.1Confident73.6Confident7 Ų765.3 Ų65.35%0.04735%0.353CS..Hα-helixtrans-59.1-47173.7-67.90000111.3Y144 K150 N151 G152 E153 P155Y144-C148 WeakPolarHBondContact O-CB 3.34Å; Y144-C148 PolarHBondContact O-N 3.32Å; Y144-C148 PolarHBondContact O-SG 3.14Å; C148-K150 VanDerWaalsContact C-N 3.3Å; C148-K150 PolarHBondContact O-N 3.11Å; C148-N151 PolarHBondContact O-N 3.15Å; C148-G152 PolarHBondContact O-N 2.8Å; C148-E153 CarbonylContact C-O 3.53Å; C148-E153 HydrophobicContact CB-CB 4.47Å; C148-E153 WeakPolarHBondContact CB-O 3.33Å; C148-E153 PolarHBondContact O-N 2.92Å; C148-E153 VanDerWaalsContact O-O 3.11Å; C148-P155 HydrophobicContact CB-CB 3.97Å; C148-P155 HydrophobicContact CB-CG 3.85Å
149L77.1Confident72.2Confident73 Ų7370.7 Ų70.738%0.38239%0.387SS..Hα-helixtrans-64.9-32.5176.8-71.1-174.1000113F103 I108 I145 H146 N147F103-L149 HydrophobicContact CB-CD1 4.37Å; F103-L149 HydrophobicContact CB-CD2 4.08Å; I108-L149 HydrophobicContact CD1-CD1 3.74Å; I145-L149 HydrophobicContact CG2-CD1 4.17Å; I145-L149 HydrophobicContact CG2-CG 4.26Å; I145-L149 WeakPolarHBondContact O-CB 3.27Å; I145-L149 VanDerWaalsContact O-CG 3.27Å; I145-L149 WeakPolarHBondContact O-CG 3.5Å; I145-L149 PolarHBondContact O-N 3Å; H146-L149 PolarHBondContact O-N 2.84Å; N147-L149 PolarHBondContact O-N 3.43Å
150K79.5Confident70.9Confident160 Ų16068.2 Ų68.270%0.69638%0.382SS*.Hα-helixtrans-73-35.6176.9-172.2177179-178.30112H146 N147 C148H146-K150 VanDerWaalsContact O-CB 3.31Å; H146-K150 WeakPolarHBondContact O-CB 3.22Å; H146-K150 PolarHBondContact O-N 3.38Å; N147-K150 PolarHBondContact O-N 3.01Å; C148-K150 VanDerWaalsContact C-N 3.3Å; C148-K150 PolarHBondContact O-N 3.11Å
151N79.7Confident69.1Low114 Ų11468.1 Ų68.161%0.6140%0.4SS*.Hα-helixtrans-87.5-5.9-179.9-64.5-7.9000113.1N147 C148 E153N147-N151 WeakPolarHBondContact O-CB 3.48Å; N147-N151 VanDerWaalsContact O-CG 3.25Å; N147-N151 PolarHBondContact O-N 3.23Å; C148-N151 PolarHBondContact O-N 3.15Å; N151-E153 VanDerWaalsContact C-N 3.32Å; N151-E153 HydrophobicContact CB-CG 4.48Å
152G70.1Confident67.7Low71 Ų7170.4 Ų70.473%0.73241%0.411SS*.THydrogen-bonded Turntrans78.912.7-179.400000114.3C148C148-G152 PolarHBondContact O-N 2.8Å
153E71.6Confident65.7Low122 Ų12277.5 Ų77.557%0.5745%0.448SS*.PPolyproline II helixtrans-89.9140.8177.6-64.6178.5157.500110.4C148 N151 P155C148-E153 CarbonylContact C-O 3.53Å; C148-E153 HydrophobicContact CB-CB 4.47Å; C148-E153 WeakPolarHBondContact CB-O 3.33Å; C148-E153 PolarHBondContact O-N 2.92Å; C148-E153 VanDerWaalsContact O-O 3.11Å; N151-E153 VanDerWaalsContact C-N 3.32Å; N151-E153 HydrophobicContact CB-CG 4.48Å; E153-P155 VanDerWaalsContact O-CD 3.31Å; E153-P155 WeakPolarHBondContact O-CD 3.4Å
154T63.3Low63.7Low132 Ų13282.8 Ų82.881%0.8147%0.468SS*.PPolyproline II helixtrans-78.5116174.850.40000109.7
155P64.5Low61.6Low6 Ų687.3 Ų87.34%0.03950%0.497CS..PPolyproline II helixtrans-63.8140.6179.46-1.8000110.5F103 Y144 I145 C148 E153 S157F103-P155 HydrophobicContact CB-CG 4.3Å; F103-P155 HydrophobicContact CD1-CB 4.47Å; F103-P155 HydrophobicContact CD1-CG 3.81Å; F103-P155 HydrophobicContact CD2-CB 4.47Å; F103-P155 HydrophobicContact CD2-CG 3.51Å; F103-P155 HydrophobicContact CE1-CB 4.11Å; F103-P155 HydrophobicContact CE1-CG 3.91Å; F103-P155 HydrophobicContact CE2-CB 4.1Å; F103-P155 HydrophobicContact CE2-CG 3.61Å; F103-P155 WeakPolarHBondContact CE2-O 3.29Å; F103-P155 HydrophobicContact CG-CG 3.6Å; F103-P155 HydrophobicContact CZ-CB 3.9Å; F103-P155 HydrophobicContact CZ-CG 3.81Å; F103-P155 WeakPolarHBondContact CZ-O 3.36Å; Y144-P155 HydrophobicContact CD1-CB 4.3Å; Y144-P155 HydrophobicContact CE1-CB 3.66Å; I145-P155 HydrophobicContact CG1-CB 4.27Å; I145-P155 HydrophobicContact CG1-CG 4.39Å; I145-P155 HydrophobicContact CG2-CG 4.15Å; C148-P155 HydrophobicContact CB-CB 3.97Å; C148-P155 HydrophobicContact CB-CG 3.85Å; E153-P155 VanDerWaalsContact O-CD 3.31Å; E153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-S157 PolarHBondContact O-N 3.49Å
156Q61.6Low60Low145 Ų14594.7 Ų94.768%0.67853%0.531SS*.PPolyproline II helixtrans-73.4126.6-177.9-162.2157.9-32.100110.9K141 Y144 G158K141-Q156 PolarHBondContact NZ-O 2.63Å; Y144-Q156 PolarHBondContact OH-N 2.83Å; Q156-G158 PolarHBondContact O-N 3.37Å
157S51.9Low58Low68 Ų68100.8 Ų100.848%0.47656%0.56SS.*  trans-75.7106.8173.9-67.20000109.6P155P155-S157 PolarHBondContact O-N 3.49Å
158G53.5Low56Low31 Ų31100.9 Ų100.932%0.3257%0.571SS.*SBendtrans171.8157.1174.700000112Q156 I160Q156-G158 PolarHBondContact O-N 3.37Å; G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 3.49Å
159P47Very low54.3Low120 Ų120109.7 Ų109.778%0.77961%0.611SS**  trans-66.198.5163.928.1-29.5000107.2G161P159-G161 PolarHBondContact O-N 3.24Å
160I52.8Low52.4Low58 Ų58114.2 Ų114.230%0.29763%0.628SS.*  trans-76.7119.6172.7-63.7169.9000105.4W140 Y144 G158 M162W140-I160 HydrophobicContact CH2-CB 3.57Å; W140-I160 HydrophobicContact CH2-CD1 3.66Å; W140-I160 HydrophobicContact CH2-CG1 4.18Å; W140-I160 HydrophobicContact CH2-CG2 3.5Å; W140-I160 HydrophobicContact CZ2-CG2 4.17Å; W140-I160 HydrophobicContact CZ3-CB 3.91Å; W140-I160 HydrophobicContact CZ3-CD1 4.35Å; W140-I160 HydrophobicContact CZ3-CG2 4.23Å; Y144-I160 HydrophobicContact CE1-CD1 4.15Å; G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 3.49Å; I160-M162 PolarHBondContact O-N 3.22Å
161G44.9Very low50.4Low59 Ų59109.1 Ų109.161%0.60862%0.621SS**  trans-56122.4173.300000108.4P159 D163P159-G161 PolarHBondContact O-N 3.24Å; G161-D163 PolarHBondContact O-N 3.07Å; G161-D163 VanDerWaalsContact O-N 3.12Å
162M43.7Very low48.6Very low50 Ų50106 Ų10625%0.24661%0.611CS.*  trans-72.599.6167-83.6-170.8-69.900106.3Q133 K136 Y137 I160Q133-M162 HydrophobicContact CG-CE 4.01Å; K136-M162 HydrophobicContact CB-CE 4.18Å; K136-M162 HydrophobicContact CB-SD 4Å; Y137-M162 VanDerWaalsContact CB-CE 3.5Å; Y137-M162 HydrophobicContact CD2-CE 4.03Å; Y137-M162 HydrophobicContact CG-CE 4.26Å; I160-M162 PolarHBondContact O-N 3.22Å
163D36.8Very low47Very low152 Ų152109.5 Ų109.581%0.81361%0.609SS**  trans-64132.7155.4-65.5-35.7000106.8G161 D165G161-D163 PolarHBondContact O-N 3.07Å; G161-D163 VanDerWaalsContact O-N 3.12Å; D163-D165 PolarHBondContact O-N 3.11Å
164E41.4Very low45.3Very low178 Ų178105.8 Ų105.883%0.83260%0.603SS**THydrogen-bonded Turntrans-69.86.1-155.1-74.6179.5139.900116.7
165D37Very low44.2Very low156 Ų156101.2 Ų101.283%0.83457%0.572SS**THydrogen-bonded Turntrans-119.99.1-161.6-69.9-33.4000116.8D163 E167D163-D165 PolarHBondContact O-N 3.11Å; D165-E167 PolarHBondContact O-N 3.49Å
166E42.4Very low42.9Very low155 Ų155103.9 Ų103.972%0.72459%0.59SS**  trans-100.374169.7-74-167.3170.200111.9A168E166-A168 PolarHBondContact O-N 3.11Å
167E39.5Very low41.7Very low184 Ų184104.1 Ų104.186%0.8660%0.597SS**  trans-65.781.6150.4-86.7-170.8152.500108.3D165 E169D165-E167 PolarHBondContact O-N 3.49Å; E167-E169 PolarHBondContact O-N 2.98Å
168A38.9Very low41.1Very low77 Ų77102.5 Ų102.564%0.63658%0.582SS**  trans-67.685.6163.300000108E166 F170E166-A168 PolarHBondContact O-N 3.11Å; A168-F170 PolarHBondContact O-N 3.23Å
169E43Very low40Very low192 Ų192105.7 Ų105.790%0.89760%0.597SS**  trans-62.188.2161.5-173.3176.2-172.700107.5E167E167-E169 PolarHBondContact O-N 2.98Å
170F37.9Very low39.3Very low169 Ų169104.6 Ų104.674%0.74159%0.593SS**  trans-133.2106.3172.6-153.4-117.4000110.7A168A168-F170 PolarHBondContact O-N 3.23Å
171G36.3Very low38.4Very low52 Ų52110.7 Ų110.754%0.53662%0.62SS.*  trans-59146.4177.400000112.3E173G171-E173 PolarHBondContact O-N 2.9Å
172A42.1Very low37.8Very low49 Ų49114.3 Ų114.341%0.40563%0.625SS.*G310 helixtrans-11.8-7.7157.900000122.1H12 G174H12-A172 WeakPolarHBondContact NE2-CB 3.21Å; A172-G174 PolarHBondContact O-N 2.97Å
173E37.2Very low37.4Very low145 Ų145119.3 Ų119.368%0.67865%0.648SS**G310 helixtrans-79-20-168.5-56.8-134.7142.300113.5R8 G171R8-E173 IonicContact NH1-OE1 3.23Å; G171-E173 PolarHBondContact O-N 2.9Å
174G36.2Very low37.1Very low44 Ų44118.9 Ų118.945%0.45465%0.646SS.*G310 helixtrans-83.9-11.8-176.900000117A172A172-G174 PolarHBondContact O-N 2.97Å
175F40.5Very low36.8Very low36 Ų36119.7 Ų119.716%0.15865%0.65CS.*G310 helixtrans-1095.2-173.1-155.3-101.1000114I108 K109 Y112 D177 L178I108-F175 HydrophobicContact CG2-CE2 3.83Å; K109-F175 HydrophobicContact CG-CE1 4.44Å; K109-F175 HydrophobicContact CG-CZ 3.8Å; Y112-F175 HydrophobicContact CD1-CD1 4.44Å; Y112-F175 HydrophobicContact CD1-CE1 4.2Å; Y112-F175 HydrophobicContact CE1-CD1 4.44Å; F175-D177 PolarHBondContact O-N 3.23Å; F175-L178 HydrophobicContact CD1-CD1 4.02Å; F175-L178 HydrophobicContact CD2-CD1 3.57Å; F175-L178 HydrophobicContact CE1-CD1 3.64Å; F175-L178 HydrophobicContact CE2-CD1 3.15Å; F175-L178 HydrophobicContact CG-CD1 4.01Å; F175-L178 HydrophobicContact CZ-CD1 3.21Å
176S36.8Very low36.3Very low61 Ų61119.8 Ų119.843%0.42765%0.65SS.*THydrogen-bonded Turntrans-68.2-20.8-177-62.70000113.7
177D36.2Very low35.8Very low151 Ų151121.8 Ų121.881%0.80766%0.659SS**THydrogen-bonded Turntrans-98.319.7-169.6-74.3-38.2000115.8F175 P179F175-D177 PolarHBondContact O-N 3.23Å; D177-P179 WeakPolarHBondContact O-CD 3.48Å
178L38.8Very low35.3Very low33 Ų33116.1 Ų116.117%0.17365%0.65CS.*  trans-90.5107.9172.5-82.5149.1000110.3R105 F175 S180R105-L178 HydrophobicContact CB-CD2 4.36Å; F175-L178 HydrophobicContact CD1-CD1 4.02Å; F175-L178 HydrophobicContact CD2-CD1 3.57Å; F175-L178 HydrophobicContact CE1-CD1 3.64Å; F175-L178 HydrophobicContact CE2-CD1 3.15Å; F175-L178 HydrophobicContact CG-CD1 4.01Å; F175-L178 HydrophobicContact CZ-CD1 3.21Å; L178-S180 PolarHBondContact O-N 2.92Å
179P30.9Very low35.2Very low98 Ų98118.9 Ų118.964%0.63666%0.662SS**  trans-67.1135.7175.115.9-10.6000109.8D177 Q181D177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-Q181 PolarHBondContact O-N 3.45Å; P179-Q181 VanDerWaalsContact O-N 3.08Å
180S32.8Very low34.8Very low98 Ų98114.1 Ų114.169%0.68566%0.655SS**  trans-68.398.4170.1-67.70000109.1L178 N182L178-S180 PolarHBondContact O-N 2.92Å; S180-N182 PolarHBondContact O-N 3.47Å
181Q33Very low34.7Very low185 Ų185112.4 Ų112.486%0.86466%0.661SS**  trans-82.5103.8168.3-155.816613.700108.7P179 Q183P179-Q181 PolarHBondContact O-N 3.45Å; P179-Q181 VanDerWaalsContact O-N 3.08Å; Q181-Q183 PolarHBondContact O-N 3.18Å
182N31.7Very low34.5Very low136 Ų136113.1 Ų113.173%0.72767%0.669SS**  trans-52.1117.8170.5-158.38.5000109.1S180 N184S180-N182 PolarHBondContact O-N 3.47Å; N182-N184 VanDerWaalsContact C-N 3.29Å; N182-N184 PolarHBondContact O-N 2.99Å
183Q35.6Very low34Very low155 Ų155119.4 Ų119.472%0.72469%0.694SS**  trans-74.686.3172-77.2-176.7-3.800108.6Q181Q181-Q183 PolarHBondContact O-N 3.18Å
184N30.4Very low33.5Very low143 Ų143115.6 Ų115.677%0.76569%0.694SS**  trans-96.8129.3152.2-96.212.5000108.3N182N182-N184 VanDerWaalsContact C-N 3.29Å; N182-N184 PolarHBondContact O-N 2.99Å
185Q35.7Very low33.2Very low195 Ų195123.7 Ų123.791%0.91172%0.717SS**  trans-56.4134.3174.5-69.4163.7-18.700111
186D26.5Very low32.8Very low158 Ų158126.6 Ų126.685%0.84575%0.748SS**  trans-152.2115.9141.3-156.562.5000108.8
187Q32.3Very low32.5Very low196 Ų196132.9 Ų132.992%0.91677%0.77SS**  trans-82.2109.3174.2-79.5-179.5-3.800108.6
188G29Very low32.4Very low65 Ų65133.5 Ų133.567%0.6777%0.773SS**  trans-105.7133.2163.700000110.6
189P36Very low32.6Very low135 Ų135137.3 Ų137.388%0.87780%0.8SS**PPolyproline II helixtrans-79.4157.7-177.815.6-4.7000113.4
190A34.7Very low32.6Very low92 Ų92135.8 Ų135.876%0.7680%0.803SS**PPolyproline II helixtrans-62.1160.6-175.600000115
191P35.7Very low32.7Very low133 Ų133137.3 Ų137.386%0.86481%0.813SS**PPolyproline II helixtrans-82.6125.9-174.6513000112.1
192G32.2Very low32.6Very low68 Ų68132 Ų13270%0.70181%0.808SS**PPolyproline II helixtrans-87.6125.7170.200000112.4
193I31.8Very low33.5Very low180 Ų180131.1 Ų131.192%0.92381%0.81SS**  trans-2.6120.3142.916.3170.4000116
194G27.3Very low33.4Very low66 Ų66130.5 Ų130.568%0.6882%0.817SS**  trans-87.1151.4179.300000114.7
195F30.2Very low33.7Very low213 Ų213127.1 Ų127.193%0.93482%0.816SS**  trans-148.8125.9156.2-107.8-86.8000110.7
196A31.3Very low34.1Very low98 Ų98123.7 Ų123.781%0.8181%0.811SS**  trans19.2139.1158.100000124.1
197Q29.4Very low35.1Very low193 Ų193122 Ų12290%0.90281%0.808SS**  trans-79.9150.1168-65.5164.6-5000112.9
198D35.8Very low35.1Very low163 Ų163116.9 Ų116.987%0.87280%0.799SS**  -167.6154.8124.7-151.148.7000111
199P42Very low35.2Very low113 Ų113119.2 Ų119.273%0.73481%0.805SS**  trans-113.1170.4-156.342-33.6000115.5
200G30.5Very low35.1Very low67 Ų67120 Ų12069%0.69180%0.802SS**  trans162116.8155.700000118.5
201S35Very low35.2Very low129 Ų129126.3 Ų126.390%0.90281%0.808SS**  trans71.7118.1149.643.20000122.1
202G32.3Very low35.4Very low74 Ų74127.1 Ų127.176%0.76381%0.805SS**  trans-88.8-145.6168.400000113.9
203P49.4Very low35.6Very low118 Ų118130.2 Ų130.277%0.76681%0.805SS**  cis-133.3-169.3-14.632.6-9.3000114.1
204T34.3Very low36.2Very low141 Ų141128.2 Ų128.287%0.86580%0.795SS**  trans103.7117.2155.963.50000121.8
205G36.9Very low36.7Very low72 Ų72132.6 Ų132.674%0.74280%0.798SS**  trans97123.9130.300000121
206P44.3Very low37.6Very low124 Ų124129.4 Ų129.481%0.80579%0.789SS**  trans-100.1-173.5167.142.5-33.3000110.9
207P47.2Very low38Very low121 Ų121130.1 Ų130.179%0.78679%0.785SS**  cis-136.5-176.9-0.837.9-16.9000116.1
208A31.7Very low38.2Very low89 Ų89127.5 Ų127.574%0.73679%0.785SS**  trans95.4132.7139.800000123.2
209S31.2Very low38.1Very low114 Ų114123.3 Ų123.380%0.79778%0.781SS**  trans87.7110141.9-60.70000121.6
210N34.6Very low37.7Very low153 Ų153123 Ų12382%0.81879%0.788SS**  trans22.1126.8133.8-83.6-31.7000118.8
211Y35.1Very low38Very low224 Ų224129.2 Ų129.288%0.87880%0.798SS**  -172.1143.4112.1-111-86.3000111.2
212N40.8Very low38.2Very low149 Ų149127.5 Ų127.580%0.79779%0.792SS**  trans-46.1129.7163.3-90.9-79.9000111.8
213N35.7Very low38.8Very low133 Ų133130.6 Ų130.671%0.71180%0.798SS**  trans-163.9123.5140-152.915.7000112.6Q215N213-Q215 PolarHBondContact ND2-OE1 3.02Å
214I45Very low38.1Very low138 Ų138129 Ų12971%0.70880%0.796SS**  trans-87.6122.7171.7-66.4149.1000107.2I216I214-I216 HydrophobicContact CG2-CD1 4.4Å; I214-I216 HydrophobicContact CG2-CG1 4.3Å
215Q37.3Very low38.1Very low158 Ų158129.1 Ų129.174%0.73879%0.791SS**  trans-132.2105.7170.4-134.692.320.100109.5N213N213-Q215 PolarHBondContact ND2-OE1 3.02Å
216I48.8Very low38.3Very low147 Ų147131.3 Ų131.375%0.75479%0.79SS**PPolyproline II helixtrans-98.7123.7172-58.2165.9000107I214I214-I216 HydrophobicContact CG2-CD1 4.4Å; I214-I216 HydrophobicContact CG2-CG1 4.3Å
217P40.1Very low38.4Very low112 Ų112131.1 Ų131.173%0.72779%0.789SS**PPolyproline II helixtrans-78.9155.6177.829.2-31.9000113.1
218P33.4Very low37.8Very low138 Ų138129.7 Ų129.790%0.89679%0.787SS**PPolyproline II helixtrans-95.3140.8-162.9813000113
219G34.8Very low37.8Very low76 Ų76134.6 Ų134.678%0.78480%0.795SS**  trans131.678.815600000116.7
220A33.6Very low38.2Very low106 Ų106136.7 Ų136.788%0.87680%0.796SS**  trans-149.3106.1149.400000108.9
221H37.4Very low38.7Very low198 Ų198135 Ų13592%0.91779%0.794SS**  trans-74135.3176-78.5-97.3000111.3
222A39.3Very low39.9Very low93 Ų93129.7 Ų129.777%0.76979%0.787SS**  trans-149.9135.6138.800000108.6
223P43.8Very low40.2Very low138 Ų138128.4 Ų128.490%0.89679%0.786SS**  trans-82.7159.5-164.933.2-35.5000114.4
224A35.3Very low40.4Very low86 Ų86126.8 Ų126.871%0.71179%0.786SS**  trans-103.9173178.100000113.2
225N33.3Very low40Very low142 Ų142127 Ų12776%0.75979%0.788SS**  trans101.3108.8165.6-74.2-50.6000117.2
226T41.6Very low40Very low118 Ų118130.1 Ų130.172%0.72479%0.793SS**  77161.663.465.10000113.5
227P46.7Very low39.4Very low121 Ų121131.3 Ų131.379%0.78680%0.795SS**  cis-137.6173.85.635.4-12.6000115.2
228A33.9Very low39.4Very low90 Ų90130.8 Ų130.874%0.74480%0.8SS**  152.8154.9104.300000107.4
229E31.6Very low39.9Very low193 Ų193127.7 Ų127.790%0.90279%0.794SS**  cis-171.9143.5-10.9-176.9156.2108.800104.8
230L39.8Very low40Very low157 Ų157133.9 Ų133.982%0.82280%0.799SS**  trans-72.8164.4175.5-80160.7000111
231P46.3Very low40.5Very low118 Ų118134.6 Ų134.677%0.76680%0.795SS**  -156.5-175.657.938.9-12.8000117.7
232P60.5Low41.1Very low113 Ų113132.9 Ų132.973%0.73479%0.792SS**  trans-98.9178.8-17241.8-32.4000112.7
233P45.8Very low41.2Very low121 Ų121134.6 Ų134.679%0.78680%0.795SS**  -156.615386.238.4-16.5000118.6
234S39.5Very low41.4Very low100 Ų100132.5 Ų132.570%0.69979%0.789SS**  trans40.7126.4135.3-82.50000126.6
235D38.2Very low41.7Very low142 Ų142133.3 Ų133.376%0.75980%0.796SS**  77.1107.4127.2-60.4-45.1000121.8
236R36.3Very low42Very low223 Ų223137 Ų13784%0.84280%0.799SS**  177.6130.4108.4-98.7176.8169.2146.5-0.7114.1
237E36.3Very low42.4Very low172 Ų172136.6 Ų136.680%0.80480%0.801SS**  trans41.7116.3142.4-66.1178.692.800121.1
238A41.2Very low42.7Very low101 Ų101137.3 Ų137.384%0.83580%0.803SS**  173.2134.5116.400000109.9
239G42.1Very low43.4Very low74 Ų74138.5 Ų138.576%0.76380%0.803SS**PPolyproline II helixtrans-57.6141-176.600000113.4P241G239-P241 VanDerWaalsContact O-CD 3.25Å; G239-P241 WeakPolarHBondContact O-CD 3.11Å
240K38.1Very low44.3Very low206 Ų206134.3 Ų134.390%0.89680%0.801SS**PPolyproline II helixtrans-75116.2167.7-75.2174.1177.6176.90109
241P42.9Very low44.8Very low120 Ų120132.5 Ų132.578%0.77980%0.796SS**PPolyproline II helixtrans-73.6129.5160.9-1.920.8000107.9G239G239-P241 VanDerWaalsContact O-CD 3.25Å; G239-P241 WeakPolarHBondContact O-CD 3.11Å
242L50.6Low44.8Very low162 Ų162131.3 Ų131.385%0.84878%0.784SS**PPolyproline II helixtrans-59.7140.3161-73.8123.1000108.7A244L242-A244 PolarHBondContact O-N 3.28Å; L242-A244 VanDerWaalsContact O-N 3.11Å
243P42Very low44.4Very low130 Ų130131 Ų13184%0.84478%0.782SS**PPolyproline II helixtrans-64.1117175.524-30.2000109.9
244A47.1Very low44.3Very low93 Ų93129.8 Ų129.877%0.76978%0.776SS**PPolyproline II helixtrans-62.1140.7170.100000110.3L242 R246L242-A244 PolarHBondContact O-N 3.28Å; L242-A244 VanDerWaalsContact O-N 3.11Å; A244-R246 PolarHBondContact O-N 3.27Å; A244-R246 VanDerWaalsContact O-N 3.1Å
245A42.5Very low44.7Very low103 Ų103131.1 Ų131.185%0.85178%0.775SS**  trans-57.5114.4171.800000109.7S247A245-S247 PolarHBondContact O-N 2.76Å
246R40Very low45.1Very low221 Ų221131.9 Ų131.983%0.83478%0.778SS**PPolyproline II helixtrans-70.8121.2175.5-164.3170.9-174163.60.6108.2A244 V248A244-R246 PolarHBondContact O-N 3.27Å; A244-R246 VanDerWaalsContact O-N 3.1Å; R246-V248 PolarHBondContact O-N 3.17Å
247S50.2Low45.4Very low109 Ų109127.6 Ų127.676%0.76277%0.772SS**PPolyproline II helixtrans-56121.216733.70000109.5A245A245-S247 PolarHBondContact O-N 2.76Å
248V51.7Low45.7Very low135 Ų135123.5 Ų123.582%0.81877%0.767SS**PPolyproline II helixtrans-69.6125.2167.1-89.60000108.3R246R246-V248 PolarHBondContact O-N 3.17Å
249P48.6Very low45.6Very low116 Ų116125.8 Ų125.875%0.75376%0.76SS**PPolyproline II helixtrans-64.2142.7165.625.3-29.2000109.2V251P249-V251 PolarHBondContact O-N 3.2Å
250A50.6Low45.7Very low104 Ų104131.6 Ų131.686%0.8677%0.768SS**PPolyproline II helixtrans-55.3119.2175.500000109.8
251V50Low46Very low119 Ų119129.6 Ų129.672%0.72176%0.762SS**PPolyproline II helixtrans-72.4128.9170-97.80000108.7P249P249-V251 PolarHBondContact O-N 3.2Å
252D47.5Very low46.1Very low93 Ų93126 Ų12650%0.49775%0.746SS.*PPolyproline II helixtrans-59.5127.3-179.7-166.7-73.8000111S254 L255D252-S254 PolarHBondContact O-N 2.67Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.02Å; D252-S254 PolarHBondContact OD1-OG 2.53Å; D252-L255 PolarHBondContact O-N 3Å; D252-L255 VanDerWaalsContact O-N 3.12Å
253P50.5Low46Very low108 Ų108122.9 Ų122.970%0.70175%0.753SS**G310 helixtrans-58.9-16.7-178-24.834.4000114.7L255 L256P253-L255 PolarHBondContact O-N 3.28Å; P253-L256 PolarHBondContact O-N 3.12Å
254S45.3Very low46.6Very low94 Ų94119.3 Ų119.366%0.65773%0.729SS**G310 helixtrans-64.4-22.6176.4-440000113.1D252 L256D252-S254 PolarHBondContact O-N 2.67Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.02Å; D252-S254 PolarHBondContact OD1-OG 2.53Å; S254-L256 VanDerWaalsContact C-N 3.35Å
255L46.6Very low47Very low129 Ų129124.4 Ų124.468%0.67574%0.737SS**G310 helixtrans-80.8-12.7-180-62.6-179.6000113.6D252 P253 N257D252-L255 PolarHBondContact O-N 3Å; D252-L255 VanDerWaalsContact O-N 3.12Å; P253-L255 PolarHBondContact O-N 3.28Å; L255-N257 VanDerWaalsContact C-N 3.32Å
256L47.2Very low48.1Very low157 Ų157121.7 Ų121.782%0.82271%0.707SS**G310 helixtrans-79.3-14.6177-106.476.8000113.3P253 S254P253-L256 PolarHBondContact O-N 3.12Å; S254-L256 VanDerWaalsContact C-N 3.35Å
257N42Very low49.6Very low134 Ų134113.3 Ų113.372%0.71768%0.683SS**G310 helixtrans-107.934.4-176.5-150.77.9000113.1L255 Q259L255-N257 VanDerWaalsContact C-N 3.32Å; N257-Q259 VanDerWaalsContact C-N 3.28Å; N257-Q259 PolarHBondContact O-N 2.9Å
258A42.7Very low50.6Low85 Ų85113 Ų11370%0.70268%0.678SS**  trans-73.789.1162.500000108.1Q260A258-Q260 PolarHBondContact O-N 3.05Å
259Q39.3Very low51.7Low149 Ų149113.2 Ų113.270%0.69667%0.671SS**  trans-45.2131.6162.9-74.3177.6-71.500108.2N257 Q261N257-Q259 VanDerWaalsContact C-N 3.28Å; N257-Q259 PolarHBondContact O-N 2.9Å; Q259-Q261 PolarHBondContact O-N 3.34Å
260Q45.3Very low53.3Low196 Ų196109 Ų10992%0.91664%0.642SS**  trans-59.281.6170.5-78.7179.9-12.300109.4A258 G262A258-Q260 PolarHBondContact O-N 3.05Å; Q260-G262 VanDerWaalsContact C-N 3.35Å; Q260-G262 PolarHBondContact O-N 2.96Å
261Q43.1Very low54.7Low165 Ų165109.4 Ų109.477%0.77162%0.624SS**  trans-82.988.4166.9-73.2-170.32.600107Q259Q259-Q261 PolarHBondContact O-N 3.34Å
262G45.8Very low56.4Low44 Ų44108 Ų10845%0.45462%0.616SS.*SBendtrans150.6100.317400000110.3Q260 V264Q260-G262 VanDerWaalsContact C-N 3.35Å; Q260-G262 PolarHBondContact O-N 2.96Å; G262-V264 PolarHBondContact O-N 3.11Å
263G47.5Very low58.1Low96 Ų96107.9 Ų107.999%0.9961%0.611SS**  trans-68.362172.500000112.2
264V55.9Low59.8Low56 Ų56103 Ų10334%0.33958%0.58SS.*  trans-107.2114.8178-178.60000107.9G262 L266G262-V264 PolarHBondContact O-N 3.11Å; V264-L266 HydrophobicContact CG1-CD2 3.95Å; V264-L266 HydrophobicContact CG1-CG 4.37Å; V264-L266 PolarHBondContact O-N 3.3Å; V264-L266 VanDerWaalsContact O-N 3.11Å
265Q55.4Low61.8Low199 Ų199104.1 Ų104.193%0.9358%0.575SS**  trans-69.1103.6166.5-83.4-177.78.900108.3
266L65.6Low63.9Low46 Ų46103.3 Ų103.324%0.24157%0.566CS.*  trans-82127.1175.8-64.8168000109.6V264 D270 F271 L303 L304V264-L266 HydrophobicContact CG1-CD2 3.95Å; V264-L266 HydrophobicContact CG1-CG 4.37Å; V264-L266 PolarHBondContact O-N 3.3Å; V264-L266 VanDerWaalsContact O-N 3.11Å; L266-D270 HydrophobicContact CD2-CB 4.45Å; L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CE2 3.51Å; L266-F271 HydrophobicContact CB-CZ 3.87Å; L266-F271 HydrophobicContact CD1-CE1 4.27Å; L266-F271 HydrophobicContact CD1-CE2 4.3Å; L266-F271 HydrophobicContact CD1-CZ 3.78Å; L266-L303 WeakPolarHBondContact CD2-O 3.4Å; L266-L304 HydrophobicContact CD1-CD2 4.24Å
267S70.6Confident66Low46 Ų4697.1 Ų97.132%0.32253%0.532SS..  trans-74152.7176.2-177.40000110.4E269 D270 F271S267-E269 PolarHBondContact O-N 2.87Å; S267-D270 WeakPolarHBondContact CB-OD2 3.42Å; S267-D270 PolarHBondContact N-OD2 3.38Å; S267-D270 WeakPolarHBondContact O-CB 3.49Å; S267-D270 PolarHBondContact O-N 2.93Å; S267-F271 WeakPolarHBondContact O-CD2 3.37Å; S267-F271 PolarHBondContact O-N 3.38Å
268P71.7Confident68.4Low102 Ų10293.7 Ų93.766%0.66252%0.518SS*.Hα-helixtrans-52.9-27.1171.7-26.134.6000113.8T272P268-T272 PolarHBondContact O-N 3.14Å; P268-T272 VanDerWaalsContact O-N 3.14Å; P268-T272 PolarHBondContact O-OG1 3.36Å
269E75.5Confident70.8Confident140 Ų14096 Ų9665%0.65451%0.512SS*.Hα-helixtrans-69.3-35.8175.5-64.2176.5174.900112.3S267 T272 K273S267-E269 PolarHBondContact O-N 2.87Å; E269-T272 PolarHBondContact O-N 3.1Å; E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 3.05Å
270D80.3Confident73.3Confident27 Ų2794.4 Ų94.414%0.14450%0.501CS..Hα-helixtrans-69.8-39.3178.1-59.7-40.4000111L266 S267 K273 A274 L303L266-D270 HydrophobicContact CD2-CB 4.45Å; S267-D270 WeakPolarHBondContact CB-OD2 3.42Å; S267-D270 PolarHBondContact N-OD2 3.38Å; S267-D270 WeakPolarHBondContact O-CB 3.49Å; S267-D270 PolarHBondContact O-N 2.93Å; D270-K273 PolarHBondContact O-N 3.45Å; D270-A274 WeakPolarHBondContact O-CB 3.44Å; D270-A274 PolarHBondContact O-N 3.41Å; D270-L303 HydrophobicContact CB-CD1 4.37Å; D270-L303 HydrophobicContact CB-CD2 4.47Å; D270-L303 HydrophobicContact CB-CG 4.3Å; D270-L303 WeakPolarHBondContact O-CD2 3.46Å
271F80Confident75.5Confident112 Ų11285.2 Ų85.249%0.49146%0.458SS..Hα-helixtrans-62.9-42.6172.4-74.5-76.3000112L266 S267 K273 A274 Q275 L304L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CE2 3.51Å; L266-F271 HydrophobicContact CB-CZ 3.87Å; L266-F271 HydrophobicContact CD1-CE1 4.27Å; L266-F271 HydrophobicContact CD1-CE2 4.3Å; L266-F271 HydrophobicContact CD1-CZ 3.78Å; S267-F271 WeakPolarHBondContact O-CD2 3.37Å; S267-F271 PolarHBondContact O-N 3.38Å; F271-K273 VanDerWaalsContact C-N 3.35Å; F271-K273 PolarHBondContact O-N 3.1Å; F271-A274 PolarHBondContact O-N 3.49Å; F271-Q275 WeakPolarHBondContact O-CB 3.37Å; F271-Q275 PolarHBondContact O-N 3.35Å; F271-L304 HydrophobicContact CD1-CD2 4.17Å; F271-L304 HydrophobicContact CE1-CD2 4.19Å
272T85.8Confident77.7Confident91 Ų9179.1 Ų79.156%0.55844%0.44SS*.Hα-helixtrans-64.4-41178.1-56.90000111.2P268 E269 K276P268-T272 PolarHBondContact O-N 3.14Å; P268-T272 VanDerWaalsContact O-N 3.14Å; P268-T272 PolarHBondContact O-OG1 3.36Å; E269-T272 PolarHBondContact O-N 3.1Å; T272-K276 PolarHBondContact O-N 2.95Å; T272-K276 VanDerWaalsContact O-N 3.1Å
273K83.1Confident79.9Confident90 Ų9080.1 Ų80.139%0.39144%0.44SS..Hα-helixtrans-66.3-44174.4-78.8-178.2177.7-172.40112.3E269 D270 F271 Q275 K276 F277 L303 E309E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 3.05Å; D270-K273 PolarHBondContact O-N 3.45Å; F271-K273 VanDerWaalsContact C-N 3.35Å; F271-K273 PolarHBondContact O-N 3.1Å; K273-Q275 VanDerWaalsContact C-N 3.31Å; K273-Q275 PolarHBondContact O-N 3.25Å; K273-K276 WeakPolarHBondContact O-CA 3.26Å; K273-K276 WeakPolarHBondContact O-CB 3.45Å; K273-K276 PolarHBondContact O-N 3.16Å; K273-K276 VanDerWaalsContact O-N 3.07Å; K273-F277 VanDerWaalsContact O-CD2 3.31Å; K273-F277 WeakPolarHBondContact O-CD2 3.26Å; K273-F277 PolarHBondContact O-N 3.36Å; K273-L303 HydrophobicContact CB-CD2 3.59Å; K273-L303 HydrophobicContact CD-CD2 4.44Å; K273-E309 IonicContact NZ-OE2 2.63Å; K273-E309 PolarHBondContact NZ-OE2 2.84Å
274A86.8Confident81.9Confident5 Ų576 Ų764%0.04140%0.396CS..Hα-helixtrans-59.3-43.6176.400000111.2D270 F271 K276 F277 C278 L303 L304D270-A274 WeakPolarHBondContact O-CB 3.44Å; D270-A274 PolarHBondContact O-N 3.41Å; F271-A274 PolarHBondContact O-N 3.49Å; A274-K276 VanDerWaalsContact C-N 3.28Å; A274-K276 PolarHBondContact O-N 2.86Å; A274-F277 PolarHBondContact O-N 3.24Å; A274-C278 PolarHBondContact O-N 3.01Å; A274-C278 PolarHBondContact O-SG 3.34Å; A274-C278 VanDerWaalsContact O-SG 3.34Å; A274-L303 HydrophobicContact CB-CD2 4.3Å; A274-L304 HydrophobicContact CB-CD1 4.09Å; A274-L304 HydrophobicContact CB-CD2 3.78Å; A274-L304 HydrophobicContact CB-CG 3.84Å
275Q88.1Confident83.5Confident118 Ų11878.1 Ų78.155%0.55141%0.405SS*.Hα-helixtrans-62-35.8175.4-169.3-179.4-6.400112.3F271 K273 C278 K279F271-Q275 WeakPolarHBondContact O-CB 3.37Å; F271-Q275 PolarHBondContact O-N 3.35Å; K273-Q275 VanDerWaalsContact C-N 3.31Å; K273-Q275 PolarHBondContact O-N 3.25Å; Q275-C278 PolarHBondContact O-N 2.92Å; Q275-K279 WeakPolarHBondContact O-CG 3.34Å; Q275-K279 PolarHBondContact O-N 2.66Å
276K90.9Very high85.2Confident112 Ų11275.2 Ų75.249%0.48739%0.391SS..Hα-helixtrans-66.7-42.8175.8-171.7175.9174.2-1800111.8T272 K273 A274 C278 K279 Y280T272-K276 PolarHBondContact O-N 2.95Å; T272-K276 VanDerWaalsContact O-N 3.1Å; K273-K276 WeakPolarHBondContact O-CA 3.26Å; K273-K276 WeakPolarHBondContact O-CB 3.45Å; K273-K276 PolarHBondContact O-N 3.16Å; K273-K276 VanDerWaalsContact O-N 3.07Å; A274-K276 VanDerWaalsContact C-N 3.28Å; A274-K276 PolarHBondContact O-N 2.86Å; K276-C278 VanDerWaalsContact C-N 3.35Å; K276-C278 PolarHBondContact O-N 2.93Å; K276-K279 WeakPolarHBondContact O-CB 3.34Å; K276-K279 PolarHBondContact O-N 3.04Å; K276-Y280 HydrophobicContact CD-CE2 4.21Å; K276-Y280 WeakPolarHBondContact CE-OH 3.34Å; K276-Y280 HydrophobicContact CG-CD2 4.3Å; K276-Y280 HydrophobicContact CG-CE1 4.45Å; K276-Y280 HydrophobicContact CG-CE2 3.78Å; K276-Y280 PolarHBondContact O-N 3.45Å
277F90.9Very high86.4Confident27 Ų2782.1 Ų82.112%0.11842%0.416CS..Hα-helixtrans-62.7-40174-71-51.4000112.3K273 A274 K279 Y280 A281 K299 A300 L303K273-F277 VanDerWaalsContact O-CD2 3.31Å; K273-F277 WeakPolarHBondContact O-CD2 3.26Å; K273-F277 PolarHBondContact O-N 3.36Å; A274-F277 PolarHBondContact O-N 3.24Å; F277-K279 VanDerWaalsContact C-N 3.32Å; F277-K279 PolarHBondContact O-N 3.44Å; F277-Y280 PolarHBondContact O-N 2.89Å; F277-A281 PolarHBondContact O-N 3.41Å; F277-K299 HydrophobicContact CD1-CB 4.34Å; F277-K299 HydrophobicContact CD1-CD 4.49Å; F277-K299 HydrophobicContact CD2-CB 4.23Å; F277-K299 HydrophobicContact CE1-CB 4.4Å; F277-K299 HydrophobicContact CE1-CD 4.08Å; F277-K299 HydrophobicContact CE2-CB 4.27Å; F277-K299 HydrophobicContact CG-CB 4.27Å; F277-K299 HydrophobicContact CZ-CB 4.37Å; F277-K299 HydrophobicContact CZ-CD 4.4Å; F277-A300 HydrophobicContact CB-CB 3.86Å; F277-L303 HydrophobicContact CE2-CD2 4.32Å
278C92.6Very high87.4Confident62 Ų6288.3 Ų88.342%0.41944%0.439SS..Hα-helixtrans-62.1-38.2173.5-65.90000112.5A274 Q275 K276 A281 G282A274-C278 PolarHBondContact O-N 3.01Å; A274-C278 PolarHBondContact O-SG 3.34Å; A274-C278 VanDerWaalsContact O-SG 3.34Å; Q275-C278 PolarHBondContact O-N 2.92Å; K276-C278 VanDerWaalsContact C-N 3.35Å; K276-C278 PolarHBondContact O-N 2.93Å; C278-A281 PolarHBondContact O-N 3.11Å; C278-G282 PolarHBondContact O-N 3.27Å
279K91.8Very high88.3Confident134 Ų13486.5 Ų86.558%0.58342%0.424SS*.Hα-helixtrans-65.6-42.7174.2-75.4179.4179.2179.40112.2Q275 K276 F277 G282 S283Q275-K279 WeakPolarHBondContact O-CG 3.34Å; Q275-K279 PolarHBondContact O-N 2.66Å; K276-K279 WeakPolarHBondContact O-CB 3.34Å; K276-K279 PolarHBondContact O-N 3.04Å; F277-K279 VanDerWaalsContact C-N 3.32Å; F277-K279 PolarHBondContact O-N 3.44Å; K279-G282 PolarHBondContact O-N 3.41Å; K279-S283 PolarHBondContact O-N 2.96Å; K279-S283 PolarHBondContact O-OG 3.26Å
280Y91.8Very high88.9Confident115 Ų11583.8 Ų83.845%0.45142%0.417SS..Hα-helixtrans-66.4-36.6177-67.2-21.5000112.9K276 F277 G282 S283 A284K276-Y280 HydrophobicContact CD-CE2 4.21Å; K276-Y280 WeakPolarHBondContact CE-OH 3.34Å; K276-Y280 HydrophobicContact CG-CD2 4.3Å; K276-Y280 HydrophobicContact CG-CE1 4.45Å; K276-Y280 HydrophobicContact CG-CE2 3.78Å; K276-Y280 PolarHBondContact O-N 3.45Å; F277-Y280 PolarHBondContact O-N 2.89Å; Y280-G282 VanDerWaalsContact C-N 3.33Å; Y280-S283 PolarHBondContact O-N 2.99Å; Y280-A284 WeakPolarHBondContact O-CB 3.43Å; Y280-A284 PolarHBondContact O-N 2.92Å
281A92.8Very high89.4Confident2 Ų288.2 Ų88.22%0.01744%0.441CS..Hα-helixtrans-61.1-43.2169.900000111.6F277 C278 S283 A284 L285 N296 L297F277-A281 PolarHBondContact O-N 3.41Å; C278-A281 PolarHBondContact O-N 3.11Å; A281-S283 PolarHBondContact O-N 3.35Å; A281-A284 PolarHBondContact O-N 2.97Å; A281-L285 WeakPolarHBondContact O-CG 3.31Å; A281-L285 PolarHBondContact O-N 2.83Å; A281-N296 HydrophobicContact CB-CB 3.94Å; A281-L297 HydrophobicContact CB-CD1 4.45Å; A281-L297 HydrophobicContact CB-CD2 3.88Å; A281-L297 HydrophobicContact CB-CG 3.72Å
282G89.4Confident89.8Confident38 Ų3885.3 Ų85.339%0.39243%0.432SS..Hα-helixtrans-59.9-42.5174.600000113.2C278 K279 Y280 Q286C278-G282 PolarHBondContact O-N 3.27Å; K279-G282 PolarHBondContact O-N 3.41Å; Y280-G282 VanDerWaalsContact C-N 3.33Å; G282-Q286 PolarHBondContact O-N 3.07Å
283S91.9Very high89.9Confident64 Ų6481.1 Ų81.145%0.44841%0.407SS..Hα-helixtrans-65.7-42174-61.60000112.3K279 Y280 A281 L285 Q286 Y287K279-S283 PolarHBondContact O-N 2.96Å; K279-S283 PolarHBondContact O-OG 3.26Å; Y280-S283 PolarHBondContact O-N 2.99Å; A281-S283 PolarHBondContact O-N 3.35Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.99Å; S283-Q286 VanDerWaalsContact O-CB 3.3Å; S283-Q286 WeakPolarHBondContact O-CB 3.5Å; S283-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 VanDerWaalsContact O-N 3.08Å; S283-Y287 WeakPolarHBondContact O-CD2 3.49Å; S283-Y287 PolarHBondContact O-N 2.9Å
284A89.6Confident90.2Very high9 Ų980.7 Ų80.77%0.07441%0.408CS..Hα-helixtrans-62.4-40.7177.800000112.1Y280 A281 Q286 Y287 E288 D289 T292 A293Y280-A284 WeakPolarHBondContact O-CB 3.43Å; Y280-A284 PolarHBondContact O-N 2.92Å; A281-A284 PolarHBondContact O-N 2.97Å; A284-Q286 VanDerWaalsContact C-N 3.26Å; A284-Q286 PolarHBondContact O-N 3.2Å; A284-Y287 CarbonylContact O-C 3.52Å; A284-Y287 PolarHBondContact O-N 3.03Å; A284-Y287 VanDerWaalsContact O-N 3.14Å; A284-E288 PolarHBondContact O-N 2.94Å; A284-E288 VanDerWaalsContact O-N 3.14Å; A284-D289 HydrophobicContact CB-CB 4.46Å; A284-D289 PolarHBondContact O-N 3.18Å; A284-T292 HydrophobicContact CB-CG2 3.91Å; A284-A293 HydrophobicContact CB-CB 4Å
285L89.7Confident90.5Very high102 Ų10285.5 Ų85.553%0.53443%0.429SS..Hα-helixtrans-62.8-32.4172.9-69.8173.2000112.7A281 S283 Y287 E288 A293A281-L285 WeakPolarHBondContact O-CG 3.31Å; A281-L285 PolarHBondContact O-N 2.83Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.99Å; L285-Y287 PolarHBondContact O-N 3.49Å; L285-E288 PolarHBondContact O-N 3.42Å; L285-A293 HydrophobicContact CD2-CB 3.67Å; L285-A293 HydrophobicContact CG-CB 3.74Å
286Q90.6Very high90.5Very high137 Ų13780.8 Ų80.864%0.6441%0.408SS*.Hα-helixtrans-68.9-24.8176.9-168.658.25900112.9G282 S283 A284G282-Q286 PolarHBondContact O-N 3.07Å; S283-Q286 VanDerWaalsContact O-CB 3.3Å; S283-Q286 WeakPolarHBondContact O-CB 3.5Å; S283-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 VanDerWaalsContact O-N 3.08Å; A284-Q286 VanDerWaalsContact C-N 3.26Å; A284-Q286 PolarHBondContact O-N 3.2Å
287Y90.9Very high90.6Very high191 Ų19179.6 Ų79.675%0.74941%0.407SS*.THydrogen-bonded Turntrans-101.714.1173.3-64.5-74.2000112.7S283 A284 L285 D289S283-Y287 WeakPolarHBondContact O-CD2 3.49Å; S283-Y287 PolarHBondContact O-N 2.9Å; A284-Y287 CarbonylContact O-C 3.52Å; A284-Y287 PolarHBondContact O-N 3.03Å; A284-Y287 VanDerWaalsContact O-N 3.14Å; L285-Y287 PolarHBondContact O-N 3.49Å; Y287-D289 PolarHBondContact O-N 3.18Å; Y287-D289 VanDerWaalsContact O-N 3.07Å
288E90.4Very high90.6Very high176 Ų17684 Ų8482%0.82243%0.428SS*.THydrogen-bonded Turntrans57.820179.5-55.1-177.7114.400114.5A284 L285 V290A284-E288 PolarHBondContact O-N 2.94Å; A284-E288 VanDerWaalsContact O-N 3.14Å; L285-E288 PolarHBondContact O-N 3.42Å; E288-V290 PolarHBondContact O-N 2.99Å; E288-V290 VanDerWaalsContact O-N 3.11Å
289D91.8Very high90.4Very high64 Ų6485.6 Ų85.634%0.34243%0.428SS..  trans-85.784.7175.4-173-10.9000110.5A284 Y287 N291 T292 A293A284-D289 HydrophobicContact CB-CB 4.46Å; A284-D289 PolarHBondContact O-N 3.18Å; Y287-D289 PolarHBondContact O-N 3.18Å; Y287-D289 VanDerWaalsContact O-N 3.07Å; D289-N291 VanDerWaalsContact C-N 3.3Å; D289-N291 PolarHBondContact O-N 2.79Å; D289-N291 PolarHBondContact OD1-N 2.8Å; D289-T292 VanDerWaalsContact CG-CB 3.41Å; D289-T292 PolarHBondContact OD1-N 3.33Å; D289-T292 PolarHBondContact OD1-OG1 3.03Å; D289-T292 WeakPolarHBondContact OD2-CB 3.45Å; D289-T292 PolarHBondContact OD2-OG1 3.29Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.1Å
290V88.7Confident90.2Very high83 Ų8379.4 Ų79.450%0.50340%0.401SS..Hα-helixtrans-63-36.5-178.8-177.50000111.8E288 A293 I294E288-V290 PolarHBondContact O-N 2.99Å; E288-V290 VanDerWaalsContact O-N 3.11Å; V290-A293 PolarHBondContact O-N 3.48Å; V290-I294 HydrophobicContact CG1-CD1 3.77Å; V290-I294 HydrophobicContact CG1-CG1 4.35Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.42Å; V290-I294 PolarHBondContact O-N 2.78Å
291N89.7Confident89.9Confident121 Ų12179.5 Ų79.565%0.64741%0.409SS*.Hα-helixtrans-67.4-47.1-177.7-70-58000110.9D289 A293 I294 Q295D289-N291 VanDerWaalsContact C-N 3.3Å; D289-N291 PolarHBondContact O-N 2.79Å; D289-N291 PolarHBondContact OD1-N 2.8Å; N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.35Å; N291-I294 PolarHBondContact O-N 3.35Å; N291-Q295 WeakPolarHBondContact O-CG 3.41Å; N291-Q295 PolarHBondContact O-N 2.89Å; N291-Q295 VanDerWaalsContact O-N 3.08Å
292T87.9Confident89.6Confident51 Ų5184.4 Ų84.431%0.31343%0.43SS..Hα-helixtrans-66.7-35.7176.9-61.60000111.5A284 D289 Q295 N296A284-T292 HydrophobicContact CB-CG2 3.91Å; D289-T292 VanDerWaalsContact CG-CB 3.41Å; D289-T292 PolarHBondContact OD1-N 3.33Å; D289-T292 PolarHBondContact OD1-OG1 3.03Å; D289-T292 WeakPolarHBondContact OD2-CB 3.45Å; D289-T292 PolarHBondContact OD2-OG1 3.29Å; T292-Q295 PolarHBondContact O-N 3.37Å; T292-N296 WeakPolarHBondContact CG2-ND2 3.36Å; T292-N296 PolarHBondContact O-N 3.26Å; T292-N296 VanDerWaalsContact O-N 3.12Å; T292-N296 PolarHBondContact O-ND2 3.27Å
293A88.1Confident89.3Confident2 Ų282.7 Ų82.72%0.01741%0.412CS..Hα-helixtrans-62.2-48.3175.600000112.2A284 L285 D289 V290 N291 Q295 N296 L297A284-A293 HydrophobicContact CB-CB 4Å; L285-A293 HydrophobicContact CD2-CB 3.67Å; L285-A293 HydrophobicContact CG-CB 3.74Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.1Å; V290-A293 PolarHBondContact O-N 3.48Å; N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.35Å; A293-Q295 PolarHBondContact O-N 2.97Å; A293-N296 PolarHBondContact O-N 2.93Å; A293-L297 WeakPolarHBondContact O-CG 3.33Å; A293-L297 PolarHBondContact O-N 3.08Å; A293-L297 VanDerWaalsContact O-N 3.1Å
294I90.6Very high88.8Confident82 Ų8283 Ų8342%0.42141%0.408SS..Hα-helixtrans-61.8-45178.6-69.1170000110.7V290 N291 N296 L297 Q298V290-I294 HydrophobicContact CG1-CD1 3.77Å; V290-I294 HydrophobicContact CG1-CG1 4.35Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.42Å; V290-I294 PolarHBondContact O-N 2.78Å; N291-I294 PolarHBondContact O-N 3.35Å; I294-N296 VanDerWaalsContact C-N 3.33Å; I294-N296 PolarHBondContact O-N 3.45Å; I294-L297 PolarHBondContact O-N 3.47Å; I294-Q298 HydrophobicContact CG2-CG 4.29Å; I294-Q298 WeakPolarHBondContact O-CB 3.47Å; I294-Q298 WeakPolarHBondContact O-CG 3.25Å; I294-Q298 PolarHBondContact O-N 3.42Å
295Q91.4Very high88.3Confident105 Ų10586 Ų8649%0.49143%0.426SS..Hα-helixtrans-60.2-41.5179.3-74.3-178.714.200112.7N291 T292 A293 Q298 K299N291-Q295 WeakPolarHBondContact O-CG 3.41Å; N291-Q295 PolarHBondContact O-N 2.89Å; N291-Q295 VanDerWaalsContact O-N 3.08Å; T292-Q295 PolarHBondContact O-N 3.37Å; A293-Q295 PolarHBondContact O-N 2.97Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q295-K299 WeakPolarHBondContact O-CG 2.85Å; Q295-K299 PolarHBondContact O-N 3.14Å
296N89.9Confident87.5Confident19 Ų1984.5 Ų84.510%0.10242%0.421CS..Hα-helixtrans-70.1-38.2179.4-78.5-72.2000112.1A281 T292 A293 I294 K299 A300A281-N296 HydrophobicContact CB-CB 3.94Å; T292-N296 WeakPolarHBondContact CG2-ND2 3.36Å; T292-N296 PolarHBondContact O-N 3.26Å; T292-N296 VanDerWaalsContact O-N 3.12Å; T292-N296 PolarHBondContact O-ND2 3.27Å; A293-N296 PolarHBondContact O-N 2.93Å; I294-N296 VanDerWaalsContact C-N 3.33Å; I294-N296 PolarHBondContact O-N 3.45Å; N296-K299 PolarHBondContact O-N 3.37Å; N296-A300 PolarHBondContact O-N 3.38Å
297L92.8Very high86.3Confident87 Ų8779 Ų7946%0.45540%0.401SS..Hα-helixtrans-65.6-39.9174.7-69.6170.9000111.9A281 A293 I294 A300 L301A281-L297 HydrophobicContact CB-CD1 4.45Å; A281-L297 HydrophobicContact CB-CD2 3.88Å; A281-L297 HydrophobicContact CB-CG 3.72Å; A293-L297 WeakPolarHBondContact O-CG 3.33Å; A293-L297 PolarHBondContact O-N 3.08Å; A293-L297 VanDerWaalsContact O-N 3.1Å; I294-L297 PolarHBondContact O-N 3.47Å; L297-A300 PolarHBondContact O-N 3.12Å; L297-L301 WeakPolarHBondContact O-CB 3.31Å; L297-L301 PolarHBondContact O-N 3.48Å
298Q90.5Very high84.9Confident121 Ų12177.6 Ų77.657%0.56540%0.399SS*.Hα-helixtrans-64.1-40175.2-74.5176.6-19.500112.2I294 Q295 L301 K302I294-Q298 HydrophobicContact CG2-CG 4.29Å; I294-Q298 WeakPolarHBondContact O-CB 3.47Å; I294-Q298 WeakPolarHBondContact O-CG 3.25Å; I294-Q298 PolarHBondContact O-N 3.42Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q298-L301 PolarHBondContact O-N 2.79Å; Q298-K302 VanDerWaalsContact O-CB 3.31Å; Q298-K302 WeakPolarHBondContact O-CB 3.13Å; Q298-K302 PolarHBondContact O-N 3.39Å
299K87.1Confident83.3Confident95 Ų9575.2 Ų75.241%0.41339%0.387SS..Hα-helixtrans-63.6-43.2173.9-73.5175.5-175.8179.50112.1F277 Q295 N296 K302 L303F277-K299 HydrophobicContact CD1-CB 4.34Å; F277-K299 HydrophobicContact CD1-CD 4.49Å; F277-K299 HydrophobicContact CD2-CB 4.23Å; F277-K299 HydrophobicContact CE1-CB 4.4Å; F277-K299 HydrophobicContact CE1-CD 4.08Å; F277-K299 HydrophobicContact CE2-CB 4.27Å; F277-K299 HydrophobicContact CG-CB 4.27Å; F277-K299 HydrophobicContact CZ-CB 4.37Å; F277-K299 HydrophobicContact CZ-CD 4.4Å; Q295-K299 WeakPolarHBondContact O-CG 2.85Å; Q295-K299 PolarHBondContact O-N 3.14Å; N296-K299 PolarHBondContact O-N 3.37Å; K299-K302 PolarHBondContact O-N 3.04Å; K299-L303 WeakPolarHBondContact O-CB 3.33Å; K299-L303 PolarHBondContact O-N 3.42Å
300A88.7Confident82.8Confident4 Ų475.8 Ų75.83%0.03339%0.39CS..Hα-helixtrans-60.7-46.3175.500000111.4F277 N296 L297 L303 L304F277-A300 HydrophobicContact CB-CB 3.86Å; N296-A300 PolarHBondContact O-N 3.38Å; L297-A300 PolarHBondContact O-N 3.12Å; A300-L303 PolarHBondContact O-N 2.91Å; A300-L304 WeakPolarHBondContact O-CB 3.45Å; A300-L304 VanDerWaalsContact O-CG 3.26Å; A300-L304 WeakPolarHBondContact O-CG 3.4Å; A300-L304 PolarHBondContact O-N 3.17Å
301L86.2Confident82.5Confident117 Ų11775.4 Ų75.461%0.61338%0.384SS*.Hα-helixtrans-63.1-46.4178.9-168.375000111.3L297 Q298 L303 L304 T305L297-L301 WeakPolarHBondContact O-CB 3.31Å; L297-L301 PolarHBondContact O-N 3.48Å; Q298-L301 PolarHBondContact O-N 2.79Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 3.14Å; L301-L304 PolarHBondContact O-N 3.08Å; L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.44Å; L301-T305 PolarHBondContact O-OG1 3.48Å
302K85Confident82.1Confident104 Ų10472.9 Ų72.945%0.45237%0.369SS..Hα-helixtrans-61.7-42.2178.7-173.1179.8168.5-149.90111.9Q298 K299 T305 T306 E309Q298-K302 VanDerWaalsContact O-CB 3.31Å; Q298-K302 WeakPolarHBondContact O-CB 3.13Å; Q298-K302 PolarHBondContact O-N 3.39Å; K299-K302 PolarHBondContact O-N 3.04Å; K302-T305 PolarHBondContact O-N 3.5Å; K302-T306 WeakPolarHBondContact O-CB 3.3Å; K302-T306 PolarHBondContact O-N 2.99Å; K302-T306 PolarHBondContact O-OG1 3.11Å; K302-E309 WeakPolarHBondContact CD-OXT 3.28Å; K302-E309 WeakPolarHBondContact CE-OXT 3.19Å; K302-E309 PolarHBondContact NZ-O 2.99Å; K302-E309 PolarHBondContact NZ-OXT 3.07Å
303L83.6Confident81.8Confident2 Ų274.2 Ų74.21%0.0137%0.372CS..Hα-helixtrans-62.9-42.5177-175.163.4000111.6L266 D270 K273 A274 F277 K299 A300 L301 G307 E309L266-L303 WeakPolarHBondContact CD2-O 3.4Å; D270-L303 HydrophobicContact CB-CD1 4.37Å; D270-L303 HydrophobicContact CB-CD2 4.47Å; D270-L303 HydrophobicContact CB-CG 4.3Å; D270-L303 WeakPolarHBondContact O-CD2 3.46Å; K273-L303 HydrophobicContact CB-CD2 3.59Å; K273-L303 HydrophobicContact CD-CD2 4.44Å; A274-L303 HydrophobicContact CB-CD2 4.3Å; F277-L303 HydrophobicContact CE2-CD2 4.32Å; K299-L303 WeakPolarHBondContact O-CB 3.33Å; K299-L303 PolarHBondContact O-N 3.42Å; A300-L303 PolarHBondContact O-N 2.91Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 3.14Å; L303-G307 VanDerWaalsContact O-CA 3.26Å; L303-G307 WeakPolarHBondContact O-CA 3.34Å; L303-G307 PolarHBondContact O-N 3.28Å; L303-E309 HydrophobicContact CD1-CG 4.18Å
304L80.8Confident81.4Confident70 Ų7078.7 Ų78.737%0.36640%0.395SS..Hα-helixtrans-72.5-27.5179.1-67.8172.3000113.3L266 F271 A274 A300 L301L266-L304 HydrophobicContact CD1-CD2 4.24Å; F271-L304 HydrophobicContact CD1-CD2 4.17Å; F271-L304 HydrophobicContact CE1-CD2 4.19Å; A274-L304 HydrophobicContact CB-CD1 4.09Å; A274-L304 HydrophobicContact CB-CD2 3.78Å; A274-L304 HydrophobicContact CB-CG 3.84Å; A300-L304 WeakPolarHBondContact O-CB 3.45Å; A300-L304 VanDerWaalsContact O-CG 3.26Å; A300-L304 WeakPolarHBondContact O-CG 3.4Å; A300-L304 PolarHBondContact O-N 3.17Å; L301-L304 PolarHBondContact O-N 3.08Å
305T79.1Confident80.8Confident74 Ų7478.5 Ų78.545%0.45439%0.393SS..Hα-helixtrans-90.9-32.3-179.8-54.90000113.1L301 K302L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.44Å; L301-T305 PolarHBondContact O-OG1 3.48Å; K302-T305 PolarHBondContact O-N 3.5Å
306T74.4Confident80Confident70 Ų7076.6 Ų76.643%0.42939%0.386SS..Hα-helixtrans-118.1-10.2-171.766.40000114.5K302 K308K302-T306 WeakPolarHBondContact O-CB 3.3Å; K302-T306 PolarHBondContact O-N 2.99Å; K302-T306 PolarHBondContact O-OG1 3.11Å; T306-K308 PolarHBondContact O-N 3.28Å; T306-K308 PolarHBondContact OG1-O 2.62Å
307G65Low79.2Confident21 Ų2181 Ų8122%0.21641%0.408CS..SBendtrans66.613.3-175.900000114L303L303-G307 VanDerWaalsContact O-CA 3.26Å; L303-G307 WeakPolarHBondContact O-CA 3.34Å; L303-G307 PolarHBondContact O-N 3.28Å
308K60.9Low78.1Confident162 Ų16280.5 Ų80.570%0.70440%0.404SS*.  trans-141144.3179-67.1-176.2179.7175.90110.8T306T306-K308 PolarHBondContact O-N 3.28Å; T306-K308 PolarHBondContact OG1-O 2.62Å
309E56.1Low77Confident126 Ų12676.8 Ų76.859%0.58939%0.389SS*.  trans-67.30179.4-67.7-178.773.100113.4K273 K302 L303K273-E309 IonicContact NZ-OE2 2.63Å; K273-E309 PolarHBondContact NZ-OE2 2.84Å; K302-E309 WeakPolarHBondContact CD-OXT 3.28Å; K302-E309 WeakPolarHBondContact CE-OXT 3.19Å; K302-E309 PolarHBondContact NZ-O 2.99Å; K302-E309 PolarHBondContact NZ-OXT 3.07Å; L303-E309 HydrophobicContact CD1-CG 4.18Å

Retrieved 309 of 309 residues in 533.4 ms (Link to these results)

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